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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 = 'BDBM50263965'   
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))
BDBM50263965
PNG
(CHEMBL491601 | N-(4-(2,3-dihydrobenzo[b][1,4]oxath...)
Show SMILES CN(C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc2SCCOc2c1
Show InChI InChI=1S/C18H22N2O4S2/c1-20(2)12-13-10-14(19-26(3,21)22)4-6-16(13)24-15-5-7-18-17(11-15)23-8-9-25-18/h4-7,10-11,19H,8-9,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5303-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.040
BindingDB Entry DOI: 10.7270/Q20K28DX
More data for this
Ligand-Target Pair