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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 = 'BDBM50300531'   
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


(Homo sapiens (Human))
BDBM50300531
PNG
((1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-o-toly...)
Show SMILES CNC[C@@H](O)[C@H](c1ccccc1C)n1ccc2ccccc12 |r|
Show InChI InChI=1S/C19H22N2O/c1-14-7-3-5-9-16(14)19(18(22)13-20-2)21-12-11-15-8-4-6-10-17(15)21/h3-12,18-20,22H,13H2,1-2H3/t18-,19+/m1/s1
PDB

KEGG

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 266n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair