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BDBM91584 Thiaindanone, 13

SMILES: Fc1ccccc1CN1CCN(CC(=O)NC2CC(Cl)c3c(Br)sc(Br)c23)CC1

InChI Key: InChIKey=MMFTXPRJSWYVPA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 91584   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)		BDBM91584
PNG
(Thiaindanone, 13)
Show SMILES Fc1ccccc1CN1CCN(CC(=O)NC2CC(Cl)c3c(Br)sc(Br)c23)CC1
Show InChI InChI=1S/C20H21Br2ClFN3OS/c21-19-17-13(23)9-15(18(17)20(22)29-19)25-16(28)11-27-7-5-26(6-8-27)10-12-3-1-2-4-14(12)24/h1-4,13,15H,5-11H2,(H,25,28)
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/an/an/an/a7.4n/a



Centre d'Etudes et de Recherche sur le Médicament de Normandie



Assay Description
Inhibitory ability of compounds on AChE activity was evaluated through the use of the spectrometic method of Ellman. Lyophilized electric eel AChE (...

J Enzyme Inhib Med Chem 23: 696-703 (2008)


Article DOI: 10.1080/14756360802208053
BindingDB Entry DOI: 10.7270/Q2SX6BT7
More data for this
Ligand-Target Pair