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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 = 'BDBM50150106'   
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))
BDBM50150106
PNG
(CHEMBL124638 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...)
Show SMILES Fc1cc2CCCOc2c(OCCNCCc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C21H23FN2O2/c22-17-12-15-4-3-10-26-21(15)20(13-17)25-11-9-23-8-7-16-14-24-19-6-2-1-5-18(16)19/h1-2,5-6,12-14,23-24H,3-4,7-11H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.80n/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))
BDBM50150106
PNG
(CHEMBL124638 | [2-(6-Fluoro-chroman-8-yloxy)-ethyl...)
Show SMILES Fc1cc2CCCOc2c(OCCNCCc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C21H23FN2O2/c22-17-12-15-4-3-10-26-21(15)20(13-17)25-11-9-23-8-7-16-14-24-19-6-2-1-5-18(16)19/h1-2,5-6,12-14,23-24H,3-4,7-11H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 42.2n/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