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Assay Detail

CHEMBL5544528

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

Functional
Antiviral activity against SARS-CoV-2 infected in African green monkey Vero E6 cells assessed as reduction in viral replication pre-infected with cells for 1 hr followed by compound treatment and measured after 3 days by RT-qPCR analysis
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Severe acute respiratory syndrome coronavirus 2
Cell Type Vero E6
Confidence 1 — Organism
Curated By Autocuration

Target

SARS-CoV-2 (CHEMBL4303835)
Type ORGANISM
Organism Severe acute respiratory syndrome coronavirus 2

Publication

Exploration of P1 and P4 modifications of nirmatrelvir: Design, synthesis, biological evaluation, and X-ray structural studies of SARS-CoV-2 Mpro inhibitors.
Ghosh AK, Yadav M, Iddum S, Ghazi S, Lendy EK, Jayashankar U, Beechboard SN, Takamatsu Y, Hattori SI, Amano M, Higashi-Kuwata N, Mitsuya H, Mesecar AD.
Eur J Med Chem (2024) 267 : 116132 -116132
PubMed 38335815 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 17 5.38 7.46

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5569828 1 7.46
CHEMBL5574604 1 6.58
CHEMBL5590149 1 6.57
CHEMBL5563071 1 6.54
CHEMBL5589941 1 5.80
CHEMBL4802135 NIRMATRELVIR 4.0 1 5.70
CHEMBL5202626 1 5.64
CHEMBL4065616 REMDESIVIR 4.0 1 5.50
CHEMBL5569267 1 5.47
CHEMBL5178656 1 5.40
CHEMBL5570219 1 4.77
CHEMBL5570206 1 4.57
CHEMBL5563372 1 4.53
CHEMBL5593536 1 4.51
CHEMBL5594793 1 4.40
CHEMBL5570083 1 4.00
CHEMBL5563277 1 4.00

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5569828 EC50 = 35.0 nM 7.46
CHEMBL5574604 EC50 = 260.0 nM 6.58
CHEMBL5590149 EC50 = 270.0 nM 6.57
CHEMBL5563071 EC50 = 290.0 nM 6.54
CHEMBL5589941 EC50 = 1600.0 nM 5.80
CHEMBL4802135 NIRMATRELVIR EC50 = 2000.0 nM 5.70
CHEMBL5202626 EC50 = 2300.0 nM 5.64
CHEMBL4065616 REMDESIVIR EC50 = 3200.0 nM 5.50
CHEMBL5569267 EC50 = 3400.0 nM 5.47
CHEMBL5178656 EC50 = 4000.0 nM 5.40
CHEMBL5570219 EC50 = 17000.0 nM 4.77
CHEMBL5570206 EC50 = 27100.0 nM 4.57
CHEMBL5563372 EC50 = 29700.0 nM 4.53
CHEMBL5593536 EC50 = 30700.0 nM 4.51
CHEMBL5594793 EC50 = 40100.0 nM 4.40
CHEMBL5570083 EC50 = 100000.0 nM 4.00
CHEMBL5563277 EC50 = 100000.0 nM 4.00