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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 = 'BDBM50228435'   
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))
BDBM50228435
PNG
(5-bromo-2-(2-((dimethylamino)methyl)-4-(3-fluoropr...)
Show SMILES CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(Br)cc1N
Show InChI InChI=1S/C18H22BrFN2OS/c1-22(2)12-13-10-15(23-9-3-8-20)5-7-17(13)24-18-6-4-14(19)11-16(18)21/h4-7,10-11H,3,8-9,12,21H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.150n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells


J Med Chem 50: 6673-84 (2007)


Article DOI: 10.1021/jm070685e
BindingDB Entry DOI: 10.7270/Q22B8XRR
More data for this
Ligand-Target Pair