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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 = 'BDBM50274921'   
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))
BDBM50274921
PNG
(5-(3-(4-fluorobenzyl)pyrrolidin-3-yl)-1H-indole | ...)
Show SMILES Fc1ccc(CC2(CCNC2)c2ccc3[nH]ccc3c2)cc1
Show InChI InChI=1S/C19H19FN2/c20-17-4-1-14(2-5-17)12-19(8-10-21-13-19)16-3-6-18-15(11-16)7-9-22-18/h1-7,9,11,21-22H,8,10,12-13H2
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of SERT (unknown origin)


Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
More data for this
Ligand-Target Pair