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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 = 'BDBM50108816'   
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))
BDBM50108816
PNG
(3-(2-Benzhydryloxy-ethyl)-1-(4-isopropyl-benzyl)-p...)
Show SMILES CC(C)c1ccc(CN2CCCC(CCOC(c3ccccc3)c3ccccc3)C2)cc1
Show InChI InChI=1S/C30H37NO/c1-24(2)27-17-15-26(16-18-27)23-31-20-9-10-25(22-31)19-21-32-30(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-18,24-25,30H,9-10,19-23H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.54E+3n/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]- citalopram binding to Serotonin transporter


J Med Chem 45: 654-62 (2002)


BindingDB Entry DOI: 10.7270/Q2FJ2HHV
More data for this
Ligand-Target Pair