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Assay Detail

CHEMBL4844259

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of human recombinant AChE using acetylthiocholine iodide as a substrate preincubated for 20 mins followed by substrate addition by spectrophotometric analysis
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Acetylcholinesterase (CHEMBL220)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

From virtual screening hits targeting a cryptic pocket in BACE-1 to a nontoxic brain permeable multitarget anti-Alzheimer lead with disease-modifying and cognition-enhancing effects.
Pont C, Ginex T, Griñán-Ferré C, Scheiner M, Mattellone A, Martínez N, Arce EM, Soriano-Fernández Y, Naldi M, De Simone A, Barenys M, Gómez-Catalán J, Pérez B, Sabate R, Andrisano V, Loza MI, Brea J, Bartolini M, Bolognesi ML, Decker M, Pallàs M, Luque FJ, Muñoz-Torrero D.
Eur J Med Chem (2021) 225 : 113779 -113779
PubMed 34418785 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 8.70 9.39

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4854913 1 9.39
CHEMBL4848527 1 9.20
CHEMBL140476 HUPRINE Y 1 8.97
CHEMBL4872514 1 8.90
CHEMBL4866930 1 8.74
CHEMBL4862716 1 8.62
CHEMBL4863615 1 8.62
CHEMBL4859103 1 8.59
CHEMBL3304306 1 8.44
CHEMBL502 DONEPEZIL 4.0 1 7.57
CHEMBL164 MYRICETIN 1 -
CHEMBL345124 PROPIDIUM 1 -
CHEMBL3545559 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4854913 IC50 = 0.41 nM 9.39
CHEMBL4848527 IC50 = 0.63 nM 9.20
CHEMBL140476 HUPRINE Y IC50 = 1.07 nM 8.97
CHEMBL4872514 IC50 = 1.25 nM 8.90
CHEMBL4866930 IC50 = 1.82 nM 8.74
CHEMBL4862716 IC50 = 2.4 nM 8.62
CHEMBL4863615 IC50 = 2.39 nM 8.62
CHEMBL4859103 IC50 = 2.57 nM 8.59
CHEMBL3304306 IC50 = 3.6 nM 8.44
CHEMBL502 DONEPEZIL IC50 = 26.8 nM 7.57
CHEMBL164 MYRICETIN IC50 - -
CHEMBL345124 PROPIDIUM IC50 - -
CHEMBL3545559 IC50 - -