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Assay Detail

CHEMBL5133250

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

Binding
Inhibition of BACE1 (unknown origin)
15
Total Activities
15
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

Design and discovery of C2-fluoroalkyl iminothiazine dioxides as BACE inhibitors.
Taoka BM, Wu WL, Hao J, Dolmaski M, Wang H, Levorse D, Orth P, Hyde LA, Smith B, Michener MS, Kennedy ME, Parker EM, Cumming JN.
Bioorg Med Chem Lett (2022) 56 : 128463 -128463
PubMed 34838652 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 15 8.51 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5190011 1 9.00
CHEMBL5198665 1 9.00
CHEMBL3301601 VERUBECESTAT 3.0 1 8.70
CHEMBL5194897 1 8.70
CHEMBL5203401 1 8.70
CHEMBL3937515 1 8.52
CHEMBL5203915 1 8.52
CHEMBL5170892 1 8.52
CHEMBL5204704 1 8.52
CHEMBL5195553 1 8.52
CHEMBL5174392 1 8.40
CHEMBL5195634 1 8.40
CHEMBL5208596 1 8.30
CHEMBL5197842 1 8.00
CHEMBL5170080 1 7.92

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5190011 Ki = 1.0 nM 9.00
CHEMBL5198665 Ki = 1.0 nM 9.00
CHEMBL3301601 VERUBECESTAT Ki = 2.0 nM 8.70
CHEMBL5194897 Ki = 2.0 nM 8.70
CHEMBL5203401 Ki = 2.0 nM 8.70
CHEMBL3937515 Ki = 3.0 nM 8.52
CHEMBL5203915 Ki = 3.0 nM 8.52
CHEMBL5170892 Ki = 3.0 nM 8.52
CHEMBL5204704 Ki = 3.0 nM 8.52
CHEMBL5195553 Ki = 3.0 nM 8.52
CHEMBL5174392 Ki = 4.0 nM 8.40
CHEMBL5195634 Ki = 4.0 nM 8.40
CHEMBL5208596 Ki = 5.0 nM 8.30
CHEMBL5197842 Ki = 10.0 nM 8.00
CHEMBL5170080 Ki = 12.0 nM 7.92