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SMILES: COc1cccc(c1)C(=O)NCCCCC\C=[N+](/[O-])C(C)(C)C

InChI Key: InChIKey=CPUIMYQVPXLIPH-MOSHPQCFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50524426   
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


(Electrophorus electricus (Electric eel))		BDBM50524426
PNG
(CHEMBL4544304)
Show SMILES COc1cccc(c1)C(=O)NCCCCC\C=[N+](/[O-])C(C)(C)C
Show InChI InChI=1S/C18H28N2O3/c1-18(2,3)20(22)13-8-6-5-7-12-19-17(21)15-10-9-11-16(14-15)23-4/h9-11,13-14H,5-8,12H2,1-4H3,(H,19,21)/b20-13-
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.72E+4n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured every minute...

Eur J Med Chem 174: 116-129 (2019)


Article DOI: 10.1016/j.ejmech.2019.04.026
More data for this
Ligand-Target Pair