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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 = 'BDBM50199603'   
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))
BDBM50199603
PNG
(4-(4-ethoxyphenyl)-7-(3-(4-fluoropiperidin-1-yl)pr...)
Show SMILES CCOc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12
Show InChI InChI=1/C26H35FN2O2/c1-3-30-23-7-5-20(6-8-23)26-19-28(2)18-21-17-24(9-10-25(21)26)31-16-4-13-29-14-11-22(27)12-15-29/h5-10,17,22,26H,3-4,11-16,18-19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity at human SERT


Bioorg Med Chem Lett 17: 1047-51 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.036
BindingDB Entry DOI: 10.7270/Q2VM4BXB
More data for this
Ligand-Target Pair