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Assay Detail

CHEMBL5030258

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

Binding
Inhibition of SARS-Cov2 N-terminal full-length MBP-tagged 3CL protease expressed in Escherichia coli using DABCYL-KTSAVLQSGFRKME-EDANS as substrate preincubated for 30 mins followed by substrate addition and measured after 3 hrs by fluorescence assay
4
Total Activities
4
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

Colloidal Aggregators in Biochemical SARS-CoV-2 Repurposing Screens.
O'Donnell HR, Tummino TA, Bardine C, Craik CS, Shoichet BK.
J Med Chem (2021) 64 : 17530 -17539
PubMed 34812616 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 4 4.43 4.45

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL275311 1 4.45
CHEMBL2386114 1 4.45
CHEMBL104 CLOTRIMAZOLE 4.0 1 4.40
CHEMBL51483 GOSSYPOL 3.0 1 4.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL275311 IC50 = 35500.0 nM 4.45
CHEMBL2386114 IC50 = 35500.0 nM 4.45
CHEMBL104 CLOTRIMAZOLE IC50 = 39800.0 nM 4.40
CHEMBL51483 GOSSYPOL IC50 = 39800.0 nM 4.40