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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50087676'   
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))		BDBM50087676
PNG
(5-Chloro-3-(1-methyl-piperidin-4-ylsulfanyl)-1H-in...)
Show SMILES CN1CCC(CC1)Sc1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C14H17ClN2S/c1-17-6-4-11(5-7-17)18-14-9-16-13-3-2-10(15)8-12(13)14/h2-3,8-9,11,16H,4-7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
PubMed
 3n/an/an/an/an/an/an/an/a



Laboratoires UPSA

Curated by ChEMBL


Assay Description
Binding affinity of the compound on Serotonin transporter was determined in rat

Bioorg Med Chem Lett 10: 805-9 (2000)


BindingDB Entry DOI: 10.7270/Q20V8C0T
More data for this
Ligand-Target Pair