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Assay Detail

CHEMBL5389693

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

Binding
Inhibition of SARS-CoV-2 Main protease
4
Total Activities
3
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

An ascidian Polycarpa aurata-derived pan-inhibitor against coronaviruses targeting M<sup>pro</sup>.
Zhang J, Zhao L, Bai Y, Li S, Zhang M, Wei B, Wang X, Xue Y, Li L, Ma G, Tang Y, Wang X.
Bioorg Med Chem Lett (2024) 103 : 129706 -129706
PubMed 38508325 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 3 6.66 7.52
Inhibition 1 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5403045 2 7.52
CHEMBL403516 ACETYLSHIKONIN 1 6.46
CHEMBL397309 BETA-HYDROXYISOVALERYLSHIKONIN 1 5.99

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5403045 IC50 = 30.0 nM 7.52
CHEMBL403516 ACETYLSHIKONIN IC50 = 350.0 nM 6.46
CHEMBL397309 BETA-HYDROXYISOVALERYLSHIKONIN IC50 = 1020.0 nM 5.99
CHEMBL5403045 Inhibition - % -