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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 = 'BDBM50123072'   
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))
BDBM50123072
PNG
(5-Fluoro-2-{5-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihy...)
Show SMILES Fc1ccc2C(=O)N(CCCCCN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)C(=O)c2c1 |c:16|
Show InChI InChI=1S/C26H25F2N3O2/c27-18-4-6-20-22(15-18)26(33)31(25(20)32)11-3-1-2-10-30-12-8-17(9-13-30)23-16-29-24-7-5-19(28)14-21(23)24/h4-8,14-16,29H,1-3,9-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin reuptake sites in rat frontal cortex membranes by [3H]-paroxetine displacement.


Bioorg Med Chem Lett 13: 405-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BSX
More data for this
Ligand-Target Pair