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Assay Detail

CHEMBL5516201

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

Binding
Inhibition of recombinant human cathepsin S using Z-Phe-Arg-AMC as substrate incubated for 60 mins
22
Total Activities
22
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

Cathepsin S (CHEMBL2954)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
Breidenbach J, Voget R, Si Y, Hingst A, Claff T, Sylvester K, Wolf V, Krasniqi V, Useini A, Sträter N, Ogura Y, Kawaguchi A, Müller CE, Gütschow M.
J Med Chem (2024) 67 : 8757 -8790
PubMed 38753594 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 22 6.96 8.45

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5566531 1 8.45
CHEMBL5558707 1 8.34
CHEMBL5564971 1 8.10
CHEMBL5561728 1 8.10
CHEMBL5549898 1 7.65
CHEMBL5568269 1 7.65
CHEMBL5559134 1 7.64
CHEMBL5565472 1 7.63
CHEMBL5559003 1 7.54
CHEMBL5562042 1 7.25
CHEMBL5556766 1 6.75
CHEMBL5559068 1 6.33
CHEMBL5559371 1 6.18
CHEMBL5562393 1 6.12
CHEMBL5558496 1 5.98
CHEMBL5560182 1 5.74
CHEMBL5557407 1 5.73
CHEMBL5560304 1 5.59
CHEMBL5532074 1 5.52
CHEMBL4802135 NIRMATRELVIR 4.0 1 -
CHEMBL5564222 1 -
CHEMBL5568382 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5566531 Ki = 3.56 nM 8.45
CHEMBL5558707 Ki = 4.59 nM 8.34
CHEMBL5564971 Ki = 8.01 nM 8.10
CHEMBL5561728 Ki = 7.93 nM 8.10
CHEMBL5549898 Ki = 22.5 nM 7.65
CHEMBL5568269 Ki = 22.6 nM 7.65
CHEMBL5559134 Ki = 22.8 nM 7.64
CHEMBL5565472 Ki = 23.3 nM 7.63
CHEMBL5559003 Ki = 29.0 nM 7.54
CHEMBL5562042 Ki = 56.5 nM 7.25
CHEMBL5556766 Ki = 179.0 nM 6.75
CHEMBL5559068 Ki = 470.0 nM 6.33
CHEMBL5559371 Ki = 662.0 nM 6.18
CHEMBL5562393 Ki = 765.0 nM 6.12
CHEMBL5558496 Ki = 1050.0 nM 5.98
CHEMBL5560182 Ki = 1820.0 nM 5.74
CHEMBL5557407 Ki = 1870.0 nM 5.73
CHEMBL5560304 Ki = 2570.0 nM 5.59
CHEMBL5532074 Ki = 3020.0 nM 5.52
CHEMBL4802135 NIRMATRELVIR Ki - -
CHEMBL5564222 Ki - -
CHEMBL5568382 Ki - -