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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 = 'BDBM50333971'   
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))
BDBM50333971
PNG
(CHEMBL1644604 | exo-5-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C20H20N2O/c21-13-14-8-16(15-4-2-1-3-5-15)10-19(9-14)23-20-11-17-6-7-18(12-20)22-17/h1-5,8-10,17-18,20,22H,6-7,11-12H2/t17-,18+,20-
PDB

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair