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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 = 'BDBM50150098'   
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))
BDBM50150098
PNG
(CHEMBL126407 | [2-(Benzofuran-7-yloxy)-ethyl]-[3-(...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4ccoc34)c2c1
Show InChI InChI=1S/C21H21FN2O2/c22-17-6-7-19-18(13-17)16(14-24-19)4-2-9-23-10-12-25-20-5-1-3-15-8-11-26-21(15)20/h1,3,5-8,11,13-14,23-24H,2,4,9-10,12H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]-paroxetine


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50150098
PNG
(CHEMBL126407 | [2-(Benzofuran-7-yloxy)-ethyl]-[3-(...)
Show SMILES Fc1ccc2[nH]cc(CCCNCCOc3cccc4ccoc34)c2c1
Show InChI InChI=1S/C21H21FN2O2/c22-17-6-7-19-18(13-17)16(14-24-19)4-2-9-23-10-12-25-20-5-1-3-15-8-11-26-21(15)20/h1,3,5-8,11,13-14,23-24H,2,4,9-10,12H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 28.1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition concentration against [3H]-5-HT uptake by human serotonin transporter in JAR cells


J Med Chem 47: 3823-42 (2004)


Article DOI: 10.1021/jm0304010
BindingDB Entry DOI: 10.7270/Q2S46RDW
More data for this
Ligand-Target Pair