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Assay Detail

CHEMBL4844257

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

Binding
Inhibition of human recombinant BACE-1 expressed in Escherichia coli using panvera peptide as a substrate incubated for 1 hr by fluorescence analysis
7
Total Activities
7
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

Beta-secretase 1 (CHEMBL4822)
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 7 5.44 5.82

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3304306 1 5.82
CHEMBL4859103 1 5.57
CHEMBL164 MYRICETIN 1 5.38
CHEMBL4862716 1 4.97
CHEMBL502 DONEPEZIL 4.0 1 -
CHEMBL345124 PROPIDIUM 1 -
CHEMBL3545559 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3304306 IC50 = 1500.0 nM 5.82
CHEMBL4859103 IC50 = 2710.0 nM 5.57
CHEMBL164 MYRICETIN IC50 = 4180.0 nM 5.38
CHEMBL4862716 IC50 = 10800.0 nM 4.97
CHEMBL502 DONEPEZIL IC50 - -
CHEMBL345124 PROPIDIUM IC50 - -
CHEMBL3545559 IC50 - -