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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 = 'BDBM50099228'   
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))		BDBM50099228
PNG
(1-[3-(6-Iodo-naphthalen-2-yl)-8-methyl-8-aza-bicyc...)
Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3cc(I)ccc3c1)N2C |TLB:23:22:4.10.9:6.7,THB:11:10:22:6.7,2:4:22:6.7|
Show InChI InChI=1S/C21H24INO/c1-3-20(24)21-18(12-17-8-9-19(21)23(17)2)15-5-4-14-11-16(22)7-6-13(14)10-15/h4-7,10-11,17-19,21H,3,8-9,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.370n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Affinity for the displacement of [3H]-paroxetine binding to serotonin transporter (SERT) in rat frontal cortex membranes

J Med Chem 44: 1509-15 (2001)


BindingDB Entry DOI: 10.7270/Q2H1318R
More data for this
Ligand-Target Pair