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Assay Detail

CHEMBL5227016

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

Binding
Inhibition of SARS-COV2 main protease using Mca-AVLQ-SGFR-K as substrate by Fluorescence microplate reader assay
7
Total Activities
7
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

The race to treat COVID-19: Potential therapeutic agents for the prevention and treatment of SARS-CoV-2.
Shagufta, Ahmad I.
Eur J Med Chem (2021) 213 : 113157 -113157
PubMed 33486200 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 7 5.40 6.17

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5268979 1 6.17
CHEMBL5280512 1 5.81
CHEMBL460499 CARMOFUR 2.0 1 5.74
CHEMBL284861 1 5.60
CHEMBL964 DISULFIRAM 4.0 1 5.03
CHEMBL9470 SHIKONIN 1 4.80
CHEMBL406050 PX-12 2.0 1 4.67

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5268979 IC50 = 670.0 nM 6.17
CHEMBL5280512 IC50 = 1550.0 nM 5.81
CHEMBL460499 CARMOFUR IC50 = 1820.0 nM 5.74
CHEMBL284861 IC50 = 2500.0 nM 5.60
CHEMBL964 DISULFIRAM IC50 = 9350.0 nM 5.03
CHEMBL9470 SHIKONIN IC50 = 15750.0 nM 4.80
CHEMBL406050 PX-12 IC50 = 21390.0 nM 4.67