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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 = 'BDBM50111881'   
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))		BDBM50111881
PNG
(1-{3-[4-((E)-2-Iodo-vinyl)-phenyl]-8-aza-bicyclo[3...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(\C=C\I)cc1)N2 |THB:2:4:20:6.7|
Show InChI InChI=1S/C18H22INO/c1-2-17(21)18-15(11-14-7-8-16(18)20-14)13-5-3-12(4-6-13)9-10-19/h3-6,9-10,14-16,18,20H,2,7-8,11H2,1H3/b10-9+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.620n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter

Bioorg Med Chem Lett 12: 845-7 (2002)


BindingDB Entry DOI: 10.7270/Q25M6515
More data for this
Ligand-Target Pair