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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 = 'BDBM50083526'   
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))
BDBM50083526
PNG
(4-(3,4-Dichloro-phenyl)-1-methyl-piperidine-4-carb...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H14Cl2N2/c1-17-6-4-13(9-16,5-7-17)10-2-3-11(14)12(15)8-10/h2-3,8H,4-7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
805n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50083526
PNG
(4-(3,4-Dichloro-phenyl)-1-methyl-piperidine-4-carb...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H14Cl2N2/c1-17-6-4-13(9-16,5-7-17)10-2-3-11(14)12(15)8-10/h2-3,8H,4-7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
805n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]-paroxetine from serotonin transporter (SERT)


Bioorg Med Chem Lett 9: 3273-6 (2000)


BindingDB Entry DOI: 10.7270/Q23F4NVM
More data for this
Ligand-Target Pair