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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'agoston' and Initial = 'ge'   
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))
BDBM50450532
PNG
(CHEMBL2308105)
Show SMILES Fc1ccc(cc1)C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F2NO/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)34-29-20-27-17-18-28(21-29)33(27)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30H,4-5,8,17-21H2/t27-,28+,29+
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8.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity towards dopamine transporter in rat caudate putamen


Bioorg Med Chem Lett 7: 3027-3032 (1997)


Article DOI: 10.1016/S0960-894X(97)10139-1
BindingDB Entry DOI: 10.7270/Q2MP538T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50450532
PNG
(CHEMBL2308105)
Show SMILES Fc1ccc(cc1)C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F2NO/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)34-29-20-27-17-18-28(21-29)33(27)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30H,4-5,8,17-21H2/t27-,28+,29+
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8.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50107330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(4-phenyl-buty...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F2NO/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)34-29-20-27-17-18-28(21-29)33(27)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30H,4-5,8,17-21H2
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8.51n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061877
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1
Show InChI InChI=1S/C20H21F2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
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9.70n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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11n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061877
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1
Show InChI InChI=1S/C20H21F2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
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11.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061877
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3....)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1
Show InChI InChI=1S/C20H21F2NO/c21-15-5-1-13(2-6-15)20(14-3-7-16(22)8-4-14)24-19-11-17-9-10-18(12-19)23-17/h1-8,17-20,23H,9-12H2
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11.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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11.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate by [3H]pirenzepine displacement.


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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11.8n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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12n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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12n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3
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13n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175155
PNG
(2-(3-(bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3....)
Show SMILES NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H26F2N2O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)27-21-13-19-9-10-20(14-21)26(19)12-11-25/h1-8,19-22H,9-14,25H2
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13.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061884
PNG
(8-Allyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1
Show InChI InChI=1S/C23H25F2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2
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14n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
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17n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-pirenzepine radioligand for the Muscarinic acetylcholine receptor M1 in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50450529
PNG
(CHEMBL3084934)
Show SMILES [O-][N+](=O)c1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H32F2N2O3/c31-24-10-6-22(7-11-24)30(23-8-12-25(32)13-9-23)37-29-19-27-16-17-28(20-29)33(27)18-2-1-3-21-4-14-26(15-5-21)34(35)36/h4-15,27-30H,1-3,16-20H2/t27-,28+,29+
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity towards dopamine transporter in rat caudate putamen


Bioorg Med Chem Lett 7: 3027-3032 (1997)


Article DOI: 10.1016/S0960-894X(97)10139-1
BindingDB Entry DOI: 10.7270/Q2MP538T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50450529
PNG
(CHEMBL3084934)
Show SMILES [O-][N+](=O)c1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H32F2N2O3/c31-24-10-6-22(7-11-24)30(23-8-12-25(32)13-9-23)37-29-19-27-16-17-28(20-29)33(27)18-2-1-3-21-4-14-26(15-5-21)34(35)36/h4-15,27-30H,1-3,16-20H2/t27-,28+,29+
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20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50107329
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[4-(4-nitro-ph...)
Show SMILES [O-][N+](=O)c1ccc(CCCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H32F2N2O3/c31-24-10-6-22(7-11-24)30(23-8-12-25(32)13-9-23)37-29-19-27-16-17-28(20-29)33(27)18-2-1-3-21-4-14-26(15-5-21)34(35)36/h4-15,27-30H,1-3,16-20H2
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20.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50112329
PNG
((S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-a...)
Show SMILES COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3
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21n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
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23n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061885
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bi...)
Show SMILES CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3
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24.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061885
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bi...)
Show SMILES CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3
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25n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50112330
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C24H27F2NO3/c1-3-29-24(28)22-20-13-12-19(27(20)2)14-21(22)30-23(15-4-8-17(25)9-5-15)16-6-10-18(26)11-7-16/h4-11,19-23H,3,12-14H2,1-2H3
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26n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50061883
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8,8-dimethyl-8-a...)
Show SMILES [I-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H26F2NO.HI/c1-25(2)19-11-12-20(25)14-21(13-19)26-22(15-3-7-17(23)8-4-15)16-5-9-18(24)10-6-16;/h3-10,19-22H,11-14H2,1-2H3;1H/q+1;/p-1/t19-,20+,21+;
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29.1n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M1 sites of rat


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50086046
PNG
((S)1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES CC(C)[C@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H32F2N2O/c1-16(2)24(28)15-29-21-11-12-22(29)14-23(13-21)30-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m1/s1
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29.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50107327
PNG
(4-(4-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES Nc1ccc(CCCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-24-10-6-22(7-11-24)30(23-8-12-25(32)13-9-23)35-29-19-27-16-17-28(20-29)34(27)18-2-1-3-21-4-14-26(33)15-5-21/h4-15,27-30H,1-3,16-20,33H2
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29.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061884
PNG
(8-Allyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1
Show InChI InChI=1S/C23H25F2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2
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29.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50450531
PNG
(CHEMBL3084929)
Show SMILES Nc1ccc(CCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H34F2N2O/c31-24-10-6-22(7-11-24)30(23-8-12-25(32)13-9-23)35-29-19-27-16-17-28(20-29)34(27)18-2-1-3-21-4-14-26(33)15-5-21/h4-15,27-30H,1-3,16-20,33H2/t27-,28+,29+
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity towards dopamine transporter in rat caudate putamen


Bioorg Med Chem Lett 7: 3027-3032 (1997)


Article DOI: 10.1016/S0960-894X(97)10139-1
BindingDB Entry DOI: 10.7270/Q2MP538T
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061884
PNG
(8-Allyl-3-[bis-(4-fluoro-phenyl)-methoxy]-8-aza-bi...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1
Show InChI InChI=1S/C23H25F2NO/c1-2-13-26-20-11-12-21(26)15-22(14-20)27-23(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h2-10,20-23H,1,11-15H2
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30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50086050
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-but-3-enyl-8-a...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC=C)c1ccc(F)cc1
Show InChI InChI=1S/C24H27F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h2,4-11,21-24H,1,3,12-16H2
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31.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061881
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-cyclopropylmet...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2
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32.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061881
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-cyclopropylmet...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1
Show InChI InChI=1S/C24H27F2NO/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)28-23-13-21-11-12-22(14-23)27(21)15-16-1-2-16/h3-10,16,21-24H,1-2,11-15H2
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32.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50450532
PNG
(CHEMBL2308105)
Show SMILES Fc1ccc(cc1)C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F2NO/c31-25-13-9-23(10-14-25)30(24-11-15-26(32)16-12-24)34-29-20-27-17-18-28(21-29)33(27)19-5-4-8-22-6-2-1-3-7-22/h1-3,6-7,9-16,27-30H,4-5,8,17-21H2/t27-,28+,29+
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39n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50112328
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29F2NO3/c1-32-24-15-16-25(32)27(29(33)34-18-19-5-3-2-4-6-19)26(17-24)35-28(20-7-11-22(30)12-8-20)21-9-13-23(31)14-10-21/h2-14,24-28H,15-18H2,1H3
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40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061889
PNG
(3-[2,2-Bis-(4-fluoro-phenyl)-ethyl]-8-(3-phenyl-pr...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2NO/c30-24-12-8-22(9-13-24)29(23-10-14-25(31)15-11-23)33-28-19-26-16-17-27(20-28)32(26)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,26-29H,4,7,16-20H2
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41.9n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061889
PNG
(3-[2,2-Bis-(4-fluoro-phenyl)-ethyl]-8-(3-phenyl-pr...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2NO/c30-24-12-8-22(9-13-24)29(23-10-14-25(31)15-11-23)33-28-19-26-16-17-27(20-28)32(26)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,26-29H,4,7,16-20H2
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42n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50175159
PNG
(3-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C30H30F2N2O/c31-23-9-5-20(6-10-23)30(21-7-11-24(32)12-8-21)35-27-17-25-13-14-26(18-27)34(25)16-15-22-19-33-29-4-2-1-3-28(22)29/h1-12,19,25-27,30,33H,13-18H2
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44.6n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061880
PNG
(1-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicy...)
Show SMILES Fc1ccc(cc1)C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCn1ccc2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C30H30F2N2O/c31-24-9-5-22(6-10-24)30(23-7-11-25(32)12-8-23)35-28-19-26-13-14-27(20-28)34(26)18-17-33-16-15-21-3-1-2-4-29(21)33/h1-12,15-16,26-28,30H,13-14,17-20H2/t26-,27+,28+
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45n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50112327
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-b...)
Show SMILES CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
Show InChI InChI=1S/C25H29F2NO3/c1-15(2)30-25(29)23-21-13-12-20(28(21)3)14-22(23)31-24(16-4-8-18(26)9-5-16)17-6-10-19(27)11-7-17/h4-11,15,20-24H,12-14H2,1-3H3
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49n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Ability to displace [3H]-WIN- 35 radioligand for the dopamine transporter 428 DAT in rat brain


Bioorg Med Chem Lett 12: 1249-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00155-5
BindingDB Entry DOI: 10.7270/Q2Z037GM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50086042
PNG
((R)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...)
Show SMILES CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H32F2N2O/c1-16(2)24(28)15-29-21-11-12-22(29)14-23(13-21)30-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m0/s1
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56.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061886
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(4'-nitro-b...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(COCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C35H34F2N2O4/c36-29-11-5-27(6-12-29)35(28-7-13-30(37)14-8-28)43-34-21-32-17-18-33(22-34)38(32)19-20-42-23-24-1-3-25(4-2-24)26-9-15-31(16-10-26)39(40)41/h1-16,32-35H,17-23H2
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57n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061886
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[2-(4'-nitro-b...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(COCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C35H34F2N2O4/c36-29-11-5-27(6-12-29)35(28-7-13-30(37)14-8-28)43-34-21-32-17-18-33(22-34)38(32)19-20-42-23-24-1-3-25(4-2-24)26-9-15-31(16-10-26)39(40)41/h1-16,32-35H,17-23H2
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57n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061876
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[3-(4-fluoro-p...)
Show SMILES Fc1ccc(CCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H30F3NO/c30-23-9-3-20(4-10-23)2-1-17-33-26-15-16-27(33)19-28(18-26)34-29(21-5-11-24(31)12-6-21)22-7-13-25(32)14-8-22/h3-14,26-29H,1-2,15-19H2
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60.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061876
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-[3-(4-fluoro-p...)
Show SMILES Fc1ccc(CCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H30F3NO/c30-23-9-3-20(4-10-23)2-1-17-33-26-15-16-27(33)19-28(18-26)34-29(21-5-11-24(31)12-6-21)22-7-13-25(32)14-8-22/h3-14,26-29H,1-2,15-19H2
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60.7n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM86701
PNG
(3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicy...)
Show SMILES CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H23F2NO/c1-24-18-10-11-19(24)13-20(12-18)25-21(14-2-6-16(22)7-3-14)15-4-8-17(23)9-5-15/h2-9,18-21H,10-13H2,1H3
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71n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
In vitro inhibition of dopamine uptake in rat tissue, was determined using [3H]-DAU as radioligand


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061879
PNG
(8-Benzyl-3-[2,2-bis-(4-fluoro-phenyl)-ethyl]-8-aza...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27F2NO/c28-22-10-6-20(7-11-22)27(21-8-12-23(29)13-9-21)31-26-16-24-14-15-25(17-26)30(24)18-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2
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82n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061879
PNG
(8-Benzyl-3-[2,2-bis-(4-fluoro-phenyl)-ethyl]-8-aza...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27F2NO/c28-22-10-6-20(7-11-22)27(21-8-12-23(29)13-9-21)31-26-16-24-14-15-25(17-26)30(24)18-19-4-2-1-3-5-19/h1-13,24-27H,14-18H2
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82.2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50061878
PNG
((E)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bic...)
Show SMILES Fc1ccc(cc1)C(O[C@H]1C[C@@H]2CC[C@H](C1)N2C(=O)\C=C\c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F2NO2/c30-23-11-7-21(8-12-23)29(22-9-13-24(31)14-10-22)34-27-18-25-15-16-26(19-27)32(25)28(33)17-6-20-4-2-1-3-5-20/h1-14,17,25-27,29H,15-16,18-19H2/b17-6+/t25-,26+,27-
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86n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35, 428 from the dopamine transporter in rat caudate putamen.


J Med Chem 40: 4329-39 (1998)


Article DOI: 10.1021/jm970525a
BindingDB Entry DOI: 10.7270/Q2CV4GV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50086047
PNG
(3-[Bis-(4-fluoro-phenyl)-methoxy]-8-(3-phenyl-ally...)
Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C\C=C\c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H29F2NO/c30-24-12-8-22(9-13-24)29(23-10-14-25(31)15-11-23)33-28-19-26-16-17-27(20-28)32(26)18-4-7-21-5-2-1-3-6-21/h1-15,26-29H,16-20H2/b7-4+
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86.4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putamen


J Med Chem 43: 1085-93 (2000)


Article DOI: 10.1021/jm990265s
BindingDB Entry DOI: 10.7270/Q2M61KZ7
More data for this
Ligand-Target Pair
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