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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 = 'BDBM50099225'   
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))		BDBM50099225
PNG
(2-Methyl-1-(8-methyl-3-naphthalen-2-yl-8-aza-bicyc...)
Show SMILES CC(C)C(=O)C1C2CCC(CC1c1ccc3ccccc3c1)N2C |TLB:23:22:5.11.10:7.8,THB:3:5:22:7.8,12:11:22:7.8|
Show InChI InChI=1S/C22H27NO/c1-14(2)22(24)21-19(13-18-10-11-20(21)23(18)3)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12,14,18-21H,10-11,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.08n/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