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SMILES: COc1ccc(NC(=O)c2coc3ccc(\C=C\C(=O)OCCN(C)C)cc3c2=O)cc1

InChI Key: InChIKey=RWWUPRRLFJLESJ-VZUCSPMQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50467533   
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


(Homo sapiens (Human))		BDBM50467533
PNG
(CHEMBL4294859)
Show SMILES COc1ccc(NC(=O)c2coc3ccc(\C=C\C(=O)OCCN(C)C)cc3c2=O)cc1
Show InChI InChI=1S/C24H24N2O6/c1-26(2)12-13-31-22(27)11-5-16-4-10-21-19(14-16)23(28)20(15-32-21)24(29)25-17-6-8-18(30-3)9-7-17/h4-11,14-15H,12-13H2,1-3H3,(H,25,29)/b11-5+
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.54E+3n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by El...

Eur J Med Chem 158: 781-800 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.056
BindingDB Entry DOI: 10.7270/Q2F192DM
More data for this
Ligand-Target Pair