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Assay Detail

CHEMBL5587482

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

Binding
Inhibition of SARS CoV-2 MPro
5
Total Activities
4
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Severe acute respiratory syndrome coronavirus 2
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Replicase polyprotein 1ab (CHEMBL4523582)
Type SINGLE PROTEIN
Organism Severe acute respiratory syndrome coronavirus 2

Publication

Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.
Oneto A, Hamwi GA, Schäkel L, Krüger N, Sylvester K, Petry M, Shamleh RA, Pillaiyar T, Claff T, Schiedel AC, Sträter N, Gütschow M, Müller CE.
J Med Chem (2024) 67 : 14986 -15011
PubMed 39146284 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 3 7.50 8.44
Ki 2 7.80 8.51

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4802135 NIRMATRELVIR 4.0 2 8.51
CHEMBL5205750 1 7.47
CHEMBL468553 1 7.09
CHEMBL490820 1 6.60

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4802135 NIRMATRELVIR Ki = 3.11 nM 8.51
CHEMBL4802135 NIRMATRELVIR IC50 = 3.62 nM 8.44
CHEMBL5205750 IC50 = 34.0 nM 7.47
CHEMBL468553 Ki = 81.12 nM 7.09
CHEMBL490820 IC50 = 250.0 nM 6.60