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Assay Detail

CHEMBL5390757

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

Binding
Inhibition of SARS-CoV-2 3CLpro incubated for 4 hrs
6
Total Activities
6
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

Cyclotheonellazoles D-I, Potent Elastase Inhibitory Thiazole-Containing Cyclic Peptides from <i>Theonella</i> sp. (2131).
Holland DC, Schroder WA, Calcott MJ, Kaemmerer E, Avery VM, Ekins MG, Carroll AR.
J Nat Prod (2023) 86 : 2216 -2227
PubMed 37609780 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 6 6.05 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL51085 EBSELEN 3.0 1 8.00
CHEMBL3427166 1 7.00
CHEMBL5414337 1 5.96
CHEMBL5430373 1 5.34
CHEMBL5394627 1 5.21
CHEMBL5418049 1 4.79

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL51085 EBSELEN IC50 = 10.0 nM 8.00
CHEMBL3427166 IC50 = 100.0 nM 7.00
CHEMBL5414337 IC50 = 1100.0 nM 5.96
CHEMBL5430373 IC50 = 4600.0 nM 5.34
CHEMBL5394627 IC50 = 6100.0 nM 5.21
CHEMBL5418049 IC50 = 16100.0 nM 4.79