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10 similar compounds to monomer 50006225

Compile data set for download or QSAR
Wt: 550.8
BDBM50005578
Wt: 400.2
BDBM50006239
Wt: 300.3
BDBM50453094
Wt: 400.2
BDBM50035740
Wt: 385.2
BDBM50039987
Wt: 385.2
BDBM50046736
Wt: 550.8
BDBM50107328
Wt: 578.8
BDBM50107334
Wt: 476.3
BDBM50197204
Wt: 502.3
BDBM50197205

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50005578,50006239,50453094,50035740,50039987,50046736,50107328,50107334,50197204,50197205   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50197204
PNG
(3beta-(4'-amino-3'-iodo-biphenyl-4-yl)-8-methyl-8-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N)c(I)c1)N2C
Show InChI InChI=1S/C22H25IN2O2/c1-25-16-8-10-20(25)21(22(26)27-2)17(12-16)14-5-3-13(4-6-14)15-7-9-19(24)18(23)11-15/h3-7,9,11,16-17,20-21H,8,10,12,24H2,1-2H3/t16?,17-,20?,21+/m1/s1
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8.82n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]citaloporam from SERT in rat brain


J Med Chem 49: 6621-5 (2006)


Article DOI: 10.1021/jm0603973
BindingDB Entry DOI: 10.7270/Q2CZ36SM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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9.60n/an/an/an/an/an/an/an/a



Yale School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter (SERT) in membranes of cells selectively expressing the human genes for SERT


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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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9.80n/an/an/an/an/an/an/an/a



Yale School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to serotonin transporter (SERT) in rat forebrain tissue


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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50107328
PNG
(3-(4-Chloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]o...)
Show SMILES CN1C2CCC1C(C(C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C23H24ClIN4O2/c1-29-17-7-9-21(29)22(18(13-17)15-3-5-16(24)6-4-15)23(30)31-11-10-14-2-8-20(27-28-26)19(25)12-14/h2-6,8,12,17-18,21-22H,7,9-11,13H2,1H3
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14.5n/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-35 428 binding at dopamine transporter (DAT) in rat caudate putamen


J Med Chem 44: 4453-61 (2001)


Article DOI: 10.1021/jm0101904
BindingDB Entry DOI: 10.7270/Q2F47PV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50197205
PNG
(3beta-(4'-azido-3'-iodo-biphenyl-4-yl)-8-methyl-8-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N=[N+]=[N-])c(I)c1)N2C
Show InChI InChI=1S/C22H23IN4O2/c1-27-16-8-10-20(27)21(22(28)29-2)17(12-16)14-5-3-13(4-6-14)15-7-9-19(25-26-24)18(23)11-15/h3-7,9,11,16-17,20-21H,8,10,12H2,1-2H3/t16?,17-,20?,21+/m1/s1
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15.1n/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 DAT in rat striatal membrane


J Med Chem 49: 6621-5 (2006)


Article DOI: 10.1021/jm0603973
BindingDB Entry DOI: 10.7270/Q2CZ36SM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50107334
PNG
(8-[4-(4-Azido-3-iodo-phenyl)-butyl]-3-(4-chloro-ph...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2CCCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C25H28ClIN4O2/c1-33-25(32)24-20(17-6-8-18(26)9-7-17)15-19-10-12-23(24)31(19)13-3-2-4-16-5-11-22(29-30-28)21(27)14-16/h5-9,11,14,19-20,23-24H,2-4,10,12-13,15H2,1H3
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33n/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-35 428 binding at dopamine transporter (DAT) in rat caudate putamen


J Med Chem 44: 4453-61 (2001)


Article DOI: 10.1021/jm0101904
BindingDB Entry DOI: 10.7270/Q2F47PV5
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Yale School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to dopamine transporter (DAT) in rat forebrain tissue


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 serotonin transporter


(Rattus norvegicus (rat))
BDBM50197205
PNG
(3beta-(4'-azido-3'-iodo-biphenyl-4-yl)-8-methyl-8-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N=[N+]=[N-])c(I)c1)N2C
Show InChI InChI=1S/C22H23IN4O2/c1-27-16-8-10-20(27)21(22(28)29-2)17(12-16)14-5-3-13(4-6-14)15-7-9-19(25-26-24)18(23)11-15/h3-7,9,11,16-17,20-21H,8,10,12H2,1-2H3/t16?,17-,20?,21+/m1/s1
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109n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]citaloporam from SERT in rat brain


J Med Chem 49: 6621-5 (2006)


Article DOI: 10.1021/jm0603973
BindingDB Entry DOI: 10.7270/Q2CZ36SM
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50197204
PNG
(3beta-(4'-amino-3'-iodo-biphenyl-4-yl)-8-methyl-8-...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(cc1)-c1ccc(N)c(I)c1)N2C
Show InChI InChI=1S/C22H25IN2O2/c1-25-16-8-10-20(25)21(22(26)27-2)17(12-16)14-5-3-13(4-6-14)15-7-9-19(24)18(23)11-15/h3-7,9,11,16-17,20-21H,8,10,12,24H2,1-2H3/t16?,17-,20?,21+/m1/s1
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134n/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 DAT in rat striatal membrane


J Med Chem 49: 6621-5 (2006)


Article DOI: 10.1021/jm0603973
BindingDB Entry DOI: 10.7270/Q2CZ36SM
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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182n/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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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1.04E+3n/an/an/an/an/an/an/an/a



Yale School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to norepinephrine (NE) transporter in membranes of cells selectively expressing the human genes for NET


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
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Yale School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to norepinephrine (NE) transporter in rat forebrain tissue


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
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006239
PNG
(3-(4-Amino-3-iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(N)c(I)c1)N2C
Show InChI InChI=1S/C16H21IN2O2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8,18H2,1-2H3/t10?,11-,14?,15+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


Article DOI: 10.1021/jm00044a007
BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 39n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against radioligand [3H]paroxetine binding to serotonin transporter (5-HTT) in rat midbrain tissue


J Med Chem 40: 3861-4 (1998)


Article DOI: 10.1021/jm970492z
BindingDB Entry DOI: 10.7270/Q2GX4C7G
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against radioligand [3H]-WN 35,428 binding to dopamine transporter (DAT) in rat striatal tissue


J Med Chem 40: 3861-4 (1998)


Article DOI: 10.1021/jm970492z
BindingDB Entry DOI: 10.7270/Q2GX4C7G
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 1.59E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue


J Med Chem 40: 3861-4 (1998)


Article DOI: 10.1021/jm970492z
BindingDB Entry DOI: 10.7270/Q2GX4C7G
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50039987
PNG
((3S,8R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CCC(C[C@@H]1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3/t12?,13-,14?,15?/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


Article DOI: 10.1021/jm00044a007
BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50035740
PNG
(3-(4-Amino-3-iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(N)c(I)c1)N2C
Show InChI InChI=1S/C16H21IN2O2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8,18H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50035740
PNG
(3-(4-Amino-3-iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(N)c(I)c1)N2C
Show InChI InChI=1S/C16H21IN2O2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8,18H2,1-2H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Norepinephrine transporter in rat frontal cortex by inhibition of 0.5 nM [3H]nisoxetine binding


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50035740
PNG
(3-(4-Amino-3-iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(N)c(I)c1)N2C
Show InChI InChI=1S/C16H21IN2O2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8,18H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity at the Serotonin transporter in rat midbrain by inhibition of 0.5 nM [3H]-paroxetine binding


J Med Chem 38: 379-88 (1995)


Article DOI: 10.1021/jm00002a020
BindingDB Entry DOI: 10.7270/Q2D50NM0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50006239
PNG
(3-(4-Amino-3-iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(N)c(I)c1)N2C
Show InChI InChI=1S/C16H21IN2O2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8,18H2,1-2H3/t10?,11-,14?,15+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005578
PNG
(4-azido-3-iodophenethyl 3-(4-chlorophenyl)-8-methy...)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C23H24ClIN4O2/c1-29-17-7-9-21(29)22(18(13-17)15-3-5-16(24)6-4-15)23(30)31-11-10-14-2-8-20(27-28-26)19(25)12-14/h2-6,8,12,17-18,21-22H,7,9-11,13H2,1H3/t17-,18-,21?,22?/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 35: 1813-7 (1992)


Article DOI: 10.1021/jm00088a017
BindingDB Entry DOI: 10.7270/Q29024D6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005578
PNG
(4-azido-3-iodophenethyl 3-(4-chlorophenyl)-8-methy...)
Show SMILES CN1[C@@H]2CCC1C([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCc1ccc(N=[N+]=[N-])c(I)c1
Show InChI InChI=1S/C23H24ClIN4O2/c1-29-17-7-9-21(29)22(18(13-17)15-3-5-16(24)6-4-15)23(30)31-11-10-14-2-8-20(27-28-26)19(25)12-14/h2-6,8,12,17-18,21-22H,7,9-11,13H2,1H3/t17-,18-,21?,22?/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter.


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]3-beta-(4-fluorophenyl)tropane-2beta-carboxylic acid methyl ester binding to dopamine transporter of cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50046736
PNG
((R)-3-(3-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)C1C2CCC(CC1c1cccc(I)c1)N2C
Show InChI InChI=1S/C16H20INO2/c1-18-12-6-7-14(18)15(16(19)20-2)13(9-12)10-4-3-5-11(17)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Organix Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]citalopram binding to serotonin transporter in cynomolgus monkey striatum


J Med Chem 36: 855-62 (1993)


Article DOI: 10.1021/jm00059a010
BindingDB Entry DOI: 10.7270/Q2NC61V6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453094
PNG
(CHEMBL2310852)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C16H20N4O2/c1-20-12-7-8-14(20)15(16(21)22-2)13(9-12)10-3-5-11(6-4-10)18-19-17/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to the dopamine transporter


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50453094
PNG
(CHEMBL2310852)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C16H20N4O2/c1-20-12-7-8-14(20)15(16(21)22-2)13(9-12)10-3-5-11(6-4-10)18-19-17/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at dopamine transporter.


J Med Chem 35: 969-81 (1992)


Article DOI: 10.1021/jm00084a001
BindingDB Entry DOI: 10.7270/Q24T6K0F
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453094
PNG
(CHEMBL2310852)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C16H20N4O2/c1-20-12-7-8-14(20)15(16(21)22-2)13(9-12)10-3-5-11(6-4-10)18-19-17/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Affinity against cocaine binding site of dopamine transporter in rat striatum using [3H]2b as radioligand.


J Med Chem 34: 2719-25 (1991)


Article DOI: 10.1021/jm00113a008
BindingDB Entry DOI: 10.7270/Q2ZS2X4Z
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50453094
PNG
(CHEMBL2310852)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(cc1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C16H20N4O2/c1-20-12-7-8-14(20)15(16(21)22-2)13(9-12)10-3-5-11(6-4-10)18-19-17/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of radioligand binding ([3H]WIN-35428) to the dopamine (DA) transporter in rat


J Med Chem 37: 2865-73 (1994)


Article DOI: 10.1021/jm00044a007
BindingDB Entry DOI: 10.7270/Q21C1XH0
More data for this
Ligand-Target Pair