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BDBM50467528 CHEMBL4293364

SMILES: CCN(CC)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(OC)cc1

InChI Key: InChIKey=PRWQMSVROFPTIC-NTUHNPAUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50467528   
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))		BDBM50467528
PNG
(CHEMBL4293364)
Show SMILES CCN(CC)CCOC(=O)\C=C\c1ccc2oc(cc(=O)c2c1)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C26H28N2O6/c1-4-28(5-2)14-15-33-25(30)13-7-18-6-12-23-21(16-18)22(29)17-24(34-23)26(31)27-19-8-10-20(32-3)11-9-19/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,27,31)/b13-7+
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.14E+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