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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 = 'BDBM50276642'   
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))
BDBM50276642
PNG
(CHEMBL460407 | trans-2-Aminomethyl-5-((2''-methoxy...)
Show SMILES COc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1 |r|
Show InChI InChI=1S/C15H22FNO2/c1-18-15-8-5-12(16)9-11(15)3-2-4-13-6-7-14(10-17)19-13/h5,8-9,13-14H,2-4,6-7,10,17H2,1H3/t13-,14+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/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))
BDBM50276642
PNG
(CHEMBL460407 | trans-2-Aminomethyl-5-((2''-methoxy...)
Show SMILES COc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1 |r|
Show InChI InChI=1S/C15H22FNO2/c1-18-15-8-5-12(16)9-11(15)3-2-4-13-6-7-14(10-17)19-13/h5,8-9,13-14H,2-4,6-7,10,17H2,1H3/t13-,14+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/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