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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 = 'BDBM50299545'   
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))
BDBM50299545
PNG
(3-{4-[((2R)-3-{[1,1-Dimethyl-2-(2-naphthalenyl)eth...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1 |r|
Show InChI InChI=1S/C26H31NO4/c1-26(2,16-20-7-11-21-5-3-4-6-22(21)15-20)27-17-23(28)18-31-24-12-8-19(9-13-24)10-14-25(29)30/h3-9,11-13,15,23,27-28H,10,14,16-18H2,1-2H3,(H,29,30)/t23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0680n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of SERT


J Med Chem 52: 6599-605 (2009)


Article DOI: 10.1021/jm900563e
BindingDB Entry DOI: 10.7270/Q2WM1FB4
More data for this
Ligand-Target Pair