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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50047093'   
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))
BDBM50047093
PNG
(CHEMBL19228 | Naphthalene-2-sulfonic acid {2-[4-(5...)
Show SMILES CN(CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H30FN3O2S/c1-30(34(32,33)25-8-6-21-4-2-3-5-22(21)17-25)14-15-31-12-10-20(11-13-31)16-23-19-29-27-9-7-24(28)18-26(23)27/h2-9,17-20,29H,10-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 22n/an/an/an/an/an/a



Centre de Recherches de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake


J Med Chem 36: 1194-202 (1993)


BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
More data for this
Ligand-Target Pair