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Assay Detail

CHEMBL5579907

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

Binding
Inhibition of recombinant SARS CoV-2 Wuhan-Hu-1 main protease extracted from Escherichia coli using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 20 mins
1
Total Activities
1
Compounds Tested
1
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

Discovery of 3-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrazin derivatives as SARS-CoV-2 main protease inhibitors through virtual screening and biological evaluation.
Dou X, Sun Q, Liu Y, Lu Y, Zhang C, Xu G, Xu Y, Huo T, Zhao X, Su L, Xing Y, Lai L, Jiao N.
Bioorg Med Chem Lett (2024) 97 : 129547 -129547
PubMed 37944867 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 1 8.52 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4802135 NIRMATRELVIR 4.0 1 8.52

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4802135 NIRMATRELVIR Ki = 3.0 nM 8.52