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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 = 'BDBM50475178'   
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))
BDBM50475178
PNG
(CHEMBL191605)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c(c4)[N+]([O-])=O)CC3)cccc2n1
Show InChI InChI=1S/C24H28N4O3/c1-18-6-8-20(16-23(18)28(29)30)17-27-12-10-26(11-13-27)14-15-31-24-5-3-4-22-21(24)9-7-19(2)25-22/h3-9,16H,10-15,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to serotonin transporter in rat cortical synaptosomes


J Med Chem 48: 3478-80 (2005)


Article DOI: 10.1021/jm049039v
BindingDB Entry DOI: 10.7270/Q2G73HHF
More data for this
Ligand-Target Pair