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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 = 'BDBM50259340'   
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))
BDBM50259340
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 112n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50259340
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 112n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair