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Assay Detail

CHEMBL5043133

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

Binding
Inhibition of SARS-CoV-2 main protease expressed in Escherichia coli using MCA-AVLQSGFR-Lys(Dnp)-Lys-NH2 as substrate by FRET assay
3
Total Activities
3
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Severe acute respiratory syndrome coronavirus 2
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Discovery and Mechanism of SARS-CoV-2 Main Protease Inhibitors.
Huff S, Kummetha IR, Tiwari SK, Huante MB, Clark AE, Wang S, Bray W, Smith D, Carlin AF, Endsley M, Rana TM.
J Med Chem (2022) 65 : 2866 -2879
PubMed 34570513 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 3 6.95 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4764751 1 7.40
CHEMBL4796938 1 7.28
CHEMBL51085 EBSELEN 3.0 1 6.17

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4764751 IC50 = 40.0 nM 7.40
CHEMBL4796938 IC50 = 53.0 nM 7.28
CHEMBL51085 EBSELEN IC50 = 670.0 nM 6.17