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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50029150'   
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))
BDBM50029150
PNG
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)
Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1
Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
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1.72n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 1032-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75DV7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50029150
PNG
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)
Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1
Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
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PubMed
2n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against [3H]-paroxetine binding to rat frontal cortex membrane serotonin reuptake site


J Med Chem 48: 6855-69 (2005)


Article DOI: 10.1021/jm050148z
BindingDB Entry DOI: 10.7270/Q21C1WFP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50029150
PNG
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)
Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1
Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
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2n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Effect of compound on Serotonin transporter uptake from rat cortex using [3H]citalopram as radioligand


J Med Chem 38: 2692-704 (1995)


BindingDB Entry DOI: 10.7270/Q27H1K7H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50029150
PNG
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)
Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1
Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
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2.5n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50029150
PNG
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)
Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1
Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
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Article
PubMed
5n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Eur J Pharmacol 349: 129-32 (1998)


Article DOI: 10.1016/s0014-2999(98)00241-6
BindingDB Entry DOI: 10.7270/Q279436B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50029150
PNG
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)
Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1
Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of 5-HT in rat brain cortex


J Med Chem 23: 1306-10 (1981)


BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50029150
PNG
(3-(2-Piperidin-4-yl-ethyl)-1H-indole | CHEMBL27652...)
Show SMILES C(Cc1c[nH]c2ccccc12)C1CCNCC1
Show InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
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PubMed
n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vivo inhibition of uptake of 5-HT in human platelets


J Med Chem 23: 1306-10 (1981)


BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair