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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 = 'BDBM50110584'   
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))
BDBM50110584
PNG
(3-(3-Fluoro-propyl)-6-nitro-2-piperazin-1-yl-quino...)
Show SMILES [O-][N+](=O)c1ccc2nc(N3CCNCC3)c(CCCF)cc2c1
Show InChI InChI=1S/C16H19FN4O2/c17-5-1-2-12-10-13-11-14(21(22)23)3-4-15(13)19-16(12)20-8-6-18-7-9-20/h3-4,10-11,18H,1-2,5-9H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.320n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT)


Bioorg Med Chem Lett 12: 811-5 (2002)


BindingDB Entry DOI: 10.7270/Q2S46SHN
More data for this
Ligand-Target Pair