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Assay Detail

CHEMBL4137008

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

Binding
Inhibition of BACE1 in human SKNBE2 cells transfected with APP695 protein assessed as reduction in amyloid beta (1 to 42) levels after 18 hrs by sandwich alphalisa assay
19
Total Activities
19
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

Optimization of 1,4-Oxazine β-Secretase 1 (BACE1) Inhibitors Toward a Clinical Candidate.
Gijsen HJM, Alonso de Diego SA, De Cleyn M, García-Molina A, Macdonald GJ, Martínez-Lamenca C, Oehlrich D, Prokopcova H, Rombouts FJR, Surkyn M, Trabanco AA, Van Brandt S, Van den Bossche D, Van Gool M, Austin N, Borghys H, Dhuyvetter D, Moechars D.
J Med Chem (2018) 61 : 5292 -5303
PubMed 29809004 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 19 7.43 8.31

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4162197 1 8.31
CHEMBL4165225 1 8.22
CHEMBL4169060 1 8.19
CHEMBL3261072 1 8.14
CHEMBL3634342 1 8.08
CHEMBL4175845 1 7.91
CHEMBL4159574 1 7.90
CHEMBL3634125 1 7.88
CHEMBL4161795 1 7.81
CHEMBL4167487 1 7.68
CHEMBL4165629 1 7.56
CHEMBL4170106 1 7.46
CHEMBL4173236 1 7.39
CHEMBL4174699 1 7.31
CHEMBL4160644 1 6.94
CHEMBL4175758 1 6.60
CHEMBL4171250 1 6.22
CHEMBL4167898 1 6.20
CHEMBL4164046 1 5.35

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4162197 IC50 = 4.9 nM 8.31
CHEMBL4165225 IC50 = 6.0 nM 8.22
CHEMBL4169060 IC50 = 6.4 nM 8.19
CHEMBL3261072 IC50 = 7.2 nM 8.14
CHEMBL3634342 IC50 = 8.3 nM 8.08
CHEMBL4175845 IC50 = 12.2 nM 7.91
CHEMBL4159574 IC50 = 12.5 nM 7.90
CHEMBL3634125 IC50 = 13.2 nM 7.88
CHEMBL4161795 IC50 = 15.5 nM 7.81
CHEMBL4167487 IC50 = 20.9 nM 7.68
CHEMBL4165629 IC50 = 27.7 nM 7.56
CHEMBL4170106 IC50 = 35.1 nM 7.46
CHEMBL4173236 IC50 = 40.3 nM 7.39
CHEMBL4174699 IC50 = 49.0 nM 7.31
CHEMBL4160644 IC50 = 115.0 nM 6.94
CHEMBL4175758 IC50 = 251.0 nM 6.60
CHEMBL4171250 IC50 = 603.0 nM 6.22
CHEMBL4167898 IC50 = 631.0 nM 6.20
CHEMBL4164046 IC50 = 4500.0 nM 5.35