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PubMed code 8691489

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50052015
PNG
(CHEMBL178011 | Rutheium(II) triflate salt of (meth...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
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17n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (high affinity)


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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32n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (high affinity)


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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33n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (high affinity)


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052015
PNG
(CHEMBL178011 | Rutheium(II) triflate salt of (meth...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
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124n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (low affinity for one set model)


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50052015
PNG
(CHEMBL178011 | Rutheium(II) triflate salt of (meth...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
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224n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (low affinity)


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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314n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (low affinity)


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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388n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (low affinity)


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50052015
PNG
(CHEMBL178011 | Rutheium(II) triflate salt of (meth...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
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2.28E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50366564
PNG
(CHEMBL1790051 | CHEMBL83729 | WIN-35065-2)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 373n/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-Dopamine uptake from Dopamine transporter in rat caudate putamen tissue


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50084717
PNG
((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C
Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1
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n/an/a 405n/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-Dopamine uptake from Dopamine transporter in rat caudate putamen tissue


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50052015
PNG
(CHEMBL178011 | Rutheium(II) triflate salt of (meth...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
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n/an/a 418n/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]dopamine uptake from Dopamine transporter in rat caudate putamen tissue


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50052015
PNG
(CHEMBL178011 | Rutheium(II) triflate salt of (meth...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccccc1)N2C
Show InChI InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
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n/an/a 3.89E+3n/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibitory activity against [3H]-Dopamine uptake from Dopamine transporter in rat caudate putamen tissue


J Med Chem 39: 1560-3 (1996)


Article DOI: 10.1021/jm9508797
BindingDB Entry DOI: 10.7270/Q2N01751
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%