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11 similar compounds to monomer 50061953

Compile data set for download or QSAR
Wt: 377.5
BDBM50061951
Wt: 329.4
BDBM50061958
Wt: 301.4
BDBM50061956
Wt: 287.3
BDBM50061960
Wt: 377.5
BDBM50061959
Wt: 315.4
BDBM50454755
Wt: 343.5
BDBM50454756
Wt: 377.5
BDBM50454757
Wt: 287.3
BDBM50061954
Wt: 329.4
BDBM50061955
Wt: 377.5
BDBM50061961

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50061951,50061958,50061956,50061960,50061959,50454755,50454756,50454757,50061954,50061955,50061961   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061954
PNG
((3-Benzyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-a...)
Show SMILES COC(=O)CC1C2CCC(CC1Cc1ccccc1)N2C
Show InChI InChI=1S/C18H25NO2/c1-19-15-8-9-17(19)16(12-18(20)21-2)14(11-15)10-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3
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33n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061956
PNG
((3-Benzyl-6,8-dimethyl-8-aza-bicyclo[3.2.1]oct-2-y...)
Show SMILES COC(=O)C[C@H]1C2C[C@@H](C)C(C[C@@H]1Cc1ccccc1)N2C
Show InChI InChI=1S/C19H27NO2/c1-13-9-18-16(12-19(21)22-3)15(11-17(13)20(18)2)10-14-7-5-4-6-8-14/h4-8,13,15-18H,9-12H2,1-3H3/t13-,15+,16-,17?,18?/m1/s1
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57n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061954
PNG
((3-Benzyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-a...)
Show SMILES COC(=O)CC1C2CCC(CC1Cc1ccccc1)N2C
Show InChI InChI=1S/C18H25NO2/c1-19-15-8-9-17(19)16(12-18(20)21-2)14(11-15)10-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3
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60n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061960
PNG
((3-Benzyl-6-butyl-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C[C@@H]1C2CCC(C[C@@H]1Cc1ccccc1)N2C
Show InChI InChI=1S/C18H25NO2/c1-19-15-8-9-17(19)16(12-18(20)21-2)14(11-15)10-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3/t14-,15?,16-,17?/m0/s1
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91n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand


J Med Chem 43: 4151-9 (2000)


Article DOI: 10.1021/jm990472s
BindingDB Entry DOI: 10.7270/Q2PK0JWZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061954
PNG
((3-Benzyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-a...)
Show SMILES COC(=O)CC1C2CCC(CC1Cc1ccccc1)N2C
Show InChI InChI=1S/C18H25NO2/c1-19-15-8-9-17(19)16(12-18(20)21-2)14(11-15)10-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3
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108n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061956
PNG
((3-Benzyl-6,8-dimethyl-8-aza-bicyclo[3.2.1]oct-2-y...)
Show SMILES COC(=O)C[C@H]1C2C[C@@H](C)C(C[C@@H]1Cc1ccccc1)N2C
Show InChI InChI=1S/C19H27NO2/c1-13-9-18-16(12-19(21)22-3)15(11-17(13)20(18)2)10-14-7-5-4-6-8-14/h4-8,13,15-18H,9-12H2,1-3H3/t13-,15+,16-,17?,18?/m1/s1
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294n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454755
PNG
(CHEMBL3085520)
Show SMILES CC[C@@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C
Show InChI InChI=1S/C20H29NO2/c1-4-15-11-19-17(13-20(22)23-3)16(12-18(15)21(19)2)10-14-8-6-5-7-9-14/h5-9,15-19H,4,10-13H2,1-3H3/t15-,16+,17+,18?,19?/m1/s1
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307n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061958
PNG
((3-Benzyl-6-ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CCC[C@@H]1CC2[C@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C
Show InChI InChI=1S/C21H31NO2/c1-4-8-16-12-20-18(14-21(23)24-3)17(13-19(16)22(20)2)11-15-9-6-5-7-10-15/h5-7,9-10,16-20H,4,8,11-14H2,1-3H3/t16-,17+,18-,19?,20?/m1/s1
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1.15E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454757
PNG
(CHEMBL336186)
Show SMILES COC(=O)C[C@@H]1C2C[C@H](Cc3ccccc3)C(C[C@@H]1Cc1ccccc1)N2C
Show InChI InChI=1S/C25H31NO2/c1-26-23-15-20(13-18-9-5-3-6-10-18)22(17-25(27)28-2)24(26)16-21(23)14-19-11-7-4-8-12-19/h3-12,20-24H,13-17H2,1-2H3/t20-,21-,22-,23?,24?/m0/s1
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1.56E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061959
PNG
((3,6-Dibenzyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-y...)
Show SMILES COC(=O)C[C@H]1C2C[C@@H](Cc3ccccc3)C(C[C@@H]1Cc1ccccc1)N2C
Show InChI InChI=1S/C25H31NO2/c1-26-23-15-20(13-18-9-5-3-6-10-18)22(17-25(27)28-2)24(26)16-21(23)14-19-11-7-4-8-12-19/h3-12,20-24H,13-17H2,1-2H3/t20-,21+,22+,23?,24?/m0/s1
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1.56E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061961
PNG
((3,6-Dibenzyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-y...)
Show SMILES COC(=O)CC1C2CC(Cc3ccccc3)C(CC1Cc1ccccc1)N2C
Show InChI InChI=1S/C25H31NO2/c1-26-23-15-20(13-18-9-5-3-6-10-18)22(17-25(27)28-2)24(26)16-21(23)14-19-11-7-4-8-12-19/h3-12,20-24H,13-17H2,1-2H3
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3.08E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454757
PNG
(CHEMBL336186)
Show SMILES COC(=O)C[C@@H]1C2C[C@H](Cc3ccccc3)C(C[C@@H]1Cc1ccccc1)N2C
Show InChI InChI=1S/C25H31NO2/c1-26-23-15-20(13-18-9-5-3-6-10-18)22(17-25(27)28-2)24(26)16-21(23)14-19-11-7-4-8-12-19/h3-12,20-24H,13-17H2,1-2H3/t20-,21-,22-,23?,24?/m0/s1
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3.09E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radioligand


J Med Chem 43: 4151-9 (2000)


Article DOI: 10.1021/jm990472s
BindingDB Entry DOI: 10.7270/Q2PK0JWZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061958
PNG
((3-Benzyl-6-ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES CCC[C@@H]1CC2[C@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C
Show InChI InChI=1S/C21H31NO2/c1-4-8-16-12-20-18(14-21(23)24-3)17(13-19(16)22(20)2)11-15-9-6-5-7-10-15/h5-7,9-10,16-20H,4,8,11-14H2,1-3H3/t16-,17+,18-,19?,20?/m1/s1
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4.11E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061955
PNG
((3-Benzyl-8-methyl-6-propyl-8-aza-bicyclo[3.2.1]oc...)
Show SMILES CCCC1CC2C(CC(=O)OC)C(Cc3ccccc3)CC1N2C
Show InChI InChI=1S/C21H31NO2/c1-4-8-16-12-20-18(14-21(23)24-3)17(13-19(16)22(20)2)11-15-9-6-5-7-10-15/h5-7,9-10,16-20H,4,8,11-14H2,1-3H3
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5.85E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061951
PNG
((3-Benzyl-8-methyl-6-propyl-8-aza-bicyclo[3.2.1]oc...)
Show SMILES COC(=O)C[C@@H]1C2C[C@@H](Cc3ccccc3)C(C[C@@H]1Cc1ccccc1)N2C
Show InChI InChI=1S/C25H31NO2/c1-26-23-15-20(13-18-9-5-3-6-10-18)22(17-25(27)28-2)24(26)16-21(23)14-19-11-7-4-8-12-19/h3-12,20-24H,13-17H2,1-2H3/t20-,21+,22-,23?,24?/m0/s1
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7.24E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50454756
PNG
(CHEMBL3085519)
Show SMILES CCCC[C@@H]1CC2[C@@H](CC(=O)OC)[C@@H](Cc3ccccc3)CC1N2C
Show InChI InChI=1S/C22H33NO2/c1-4-5-11-17-13-21-19(15-22(24)25-3)18(14-20(17)23(21)2)12-16-9-7-6-8-10-16/h6-10,17-21H,4-5,11-15H2,1-3H3/t17-,18+,19+,20?,21?/m1/s1
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8.58E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061960
PNG
((3-Benzyl-6-butyl-8-methyl-8-aza-bicyclo[3.2.1]oct...)
Show SMILES COC(=O)C[C@@H]1C2CCC(C[C@@H]1Cc1ccccc1)N2C
Show InChI InChI=1S/C18H25NO2/c1-19-15-8-9-17(19)16(12-18(20)21-2)14(11-15)10-13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3/t14-,15?,16-,17?/m0/s1
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1.97E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50061955
PNG
((3-Benzyl-8-methyl-6-propyl-8-aza-bicyclo[3.2.1]oc...)
Show SMILES CCCC1CC2C(CC(=O)OC)C(Cc3ccccc3)CC1N2C
Show InChI InChI=1S/C21H31NO2/c1-4-8-16-12-20-18(14-21(23)24-3)17(13-19(16)22(20)2)11-15-9-6-5-7-10-15/h5-7,9-10,16-20H,4,8,11-14H2,1-3H3
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5.73E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


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


J Med Chem 40: 4406-14 (1998)


Article DOI: 10.1021/jm970549h
BindingDB Entry DOI: 10.7270/Q22R3SBZ
More data for this
Ligand-Target Pair