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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 = 'BDBM50178598'   
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))
BDBM50178598
PNG
(2-(5-fluoro-1H-indol-3-yl)-N-((8-methoxy-3,4-dihyd...)
Show SMILES COc1cccc2NCC(CNCCc3c[nH]c4ccc(F)cc34)Oc12
Show InChI InChI=1S/C20H22FN3O2/c1-25-19-4-2-3-18-20(19)26-15(12-24-18)11-22-8-7-13-10-23-17-6-5-14(21)9-16(13)17/h2-6,9-10,15,22-24H,7-8,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.13n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from rat cortical 5-HT reuptake


Bioorg Med Chem Lett 16: 1338-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.054
BindingDB Entry DOI: 10.7270/Q28C9VTD
More data for this
Ligand-Target Pair