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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50276459'   
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))
BDBM50276459
PNG
(2-(Aminomethyl)-5-phenethyltetrahydrofuran | CHEMB...)
Show SMILES NCC1CCC(CCc2ccccc2)O1
Show InChI InChI=1S/C13H19NO/c14-10-13-9-8-12(15-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
68n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human SERT expressed in HEK cells


Bioorg Med Chem 17: 2047-68 (2009)


Article DOI: 10.1016/j.bmc.2009.01.023
BindingDB Entry DOI: 10.7270/Q2057GV0
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50276459
PNG
(2-(Aminomethyl)-5-phenethyltetrahydrofuran | CHEMB...)
Show SMILES NCC1CCC(CCc2ccccc2)O1
Show InChI InChI=1S/C13H19NO/c14-10-13-9-8-12(15-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 129n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK cells


Bioorg Med Chem 17: 2047-68 (2009)


Article DOI: 10.1016/j.bmc.2009.01.023
BindingDB Entry DOI: 10.7270/Q2057GV0
More data for this
Ligand-Target Pair