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Compile Data Set for Download or QSAR

Found 21 hits of ki for monomerid = 22166   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]cyanoimipramine from SERT in rat cerebral cortex homogenate


Bioorg Med Chem Lett 16: 5222-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.013
BindingDB Entry DOI: 10.7270/Q2N29WMF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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0.830n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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0.960n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]beta-CIT from DAT in rat caudate homogenate


Bioorg Med Chem Lett 16: 5222-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.013
BindingDB Entry DOI: 10.7270/Q2N29WMF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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1n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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1.26n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat cerebral cortex


Bioorg Med Chem Lett 16: 5222-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.013
BindingDB Entry DOI: 10.7270/Q2N29WMF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



INSERM U316

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 467-74 (1997)


BindingDB Entry DOI: 10.7270/Q2X928VC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green...


Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree...


Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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5.89n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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6.30n/an/an/an/an/an/an/an/a



Medical University of Vienna

Curated by ChEMBL


Assay Description
Binding affinity to DAT (unknown origin)


Bioorg Med Chem 21: 7562-9 (2013)


Article DOI: 10.1016/j.bmc.2013.10.046
BindingDB Entry DOI: 10.7270/Q27P92BD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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19n/an/an/an/an/an/an/an/a



Aarhus University

Curated by ChEMBL


Assay Description
Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green...


Bioorg Med Chem 17: 4900-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.007
BindingDB Entry DOI: 10.7270/Q24749Z2
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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22.7n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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27.5n/an/an/an/an/an/an/an/a



INSERM U316

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 467-74 (1997)


BindingDB Entry DOI: 10.7270/Q2X928VC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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29n/an/an/an/an/an/an/an/a



Medical University of Vienna

Curated by ChEMBL


Assay Description
Binding affinity to SERT (unknown origin)


Bioorg Med Chem 21: 7562-9 (2013)


Article DOI: 10.1016/j.bmc.2013.10.046
BindingDB Entry DOI: 10.7270/Q27P92BD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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33n/an/an/an/an/an/an/an/a



Medical University of Vienna

Curated by ChEMBL


Assay Description
Binding affinity to NET (unknown origin)


Bioorg Med Chem 21: 7562-9 (2013)


Article DOI: 10.1016/j.bmc.2013.10.046
BindingDB Entry DOI: 10.7270/Q27P92BD
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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63n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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66.3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
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80n/an/an/an/an/an/an/an/a



INSERM U316

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 467-74 (1997)


BindingDB Entry DOI: 10.7270/Q2X928VC
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM22166
PNG
(3-(4-iodophenyl)tropane-2-carboxylic acid methyl e...)
Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
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-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PubMed
760n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 1229-36 (1999)


BindingDB Entry DOI: 10.7270/Q2TX3CWQ
More data for this
Ligand-Target Pair