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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 = 'BDBM50057130'   
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))
BDBM50057130
PNG
(CHEMBL274055 | [2-(2,3-Dihydro-1H-indol-6-yl)-ethy...)
Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4CCNc4c3)CCCc12
Show InChI InChI=1S/C23H30N2O/c1-25(14-12-17-9-10-18-11-13-24-22(18)15-17)16-19-5-3-7-21-20(19)6-4-8-23(21)26-2/h4,6,8-10,15,19,24H,3,5,7,11-14,16H2,1-2H3/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 79.1n/an/an/an/an/an/a



Abbott Park

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex


J Med Chem 40: 1049-62 (1997)


Article DOI: 10.1021/jm960723m
BindingDB Entry DOI: 10.7270/Q2CF9P6W
More data for this
Ligand-Target Pair