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Assay Detail

CHEMBL5154326

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

Binding
Inhibition of SARS-CoV2 main protease
4
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

Structure-Based Design of a Dual-Targeted Covalent Inhibitor Against Papain-like and Main Proteases of SARS-CoV-2.
Yu W, Zhao Y, Ye H, Wu N, Liao Y, Chen N, Li Z, Wan N, Hao H, Yan H, Xiao Y, Lai M.
J Med Chem (2022) 65 : 16252 -16267
PubMed 36503248 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 2 6.79 7.40
Ki 2 7.30 7.84

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2316746 1 7.84
CHEMBL4764751 1 7.40
CHEMBL5184473 1 6.75
CHEMBL51085 EBSELEN 3.0 1 6.17

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2316746 Ki = 14.5 nM 7.84
CHEMBL4764751 IC50 = 40.0 nM 7.40
CHEMBL5184473 Ki = 180.0 nM 6.75
CHEMBL51085 EBSELEN IC50 = 670.0 nM 6.17