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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 = 'BDBM50062755'   
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))
BDBM50062755
PNG
(CHEMBL3397798)
Show SMILES COc1cccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)c1 |r|
Show InChI InChI=1S/C26H29NO3/c1-29-22-14-8-9-19(15-22)17-27-23-18-30-25(16-24(23)28)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT


Bioorg Med Chem 23: 821-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.040
BindingDB Entry DOI: 10.7270/Q2SQ921P
More data for this
Ligand-Target Pair