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Assay Detail

CHEMBL5364589

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

Binding
Inhibition of eGFP-fused SARS-CoV-2 main protease transfected in HEK293T/17 cells incubated for 3 days by flow cytometry analysis
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Severe acute respiratory syndrome coronavirus 2
Cell Type HEK293T/17
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

A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
Geng ZZ, Atla S, Shaabani N, Vulupala V, Yang KS, Alugubelli YR, Khatua K, Chen PH, Xiao J, Blankenship LR, Ma XR, Vatansever EC, Cho CD, Ma Y, Allen R, Ji H, Xu S, Liu WR.
J Med Chem (2023) 66 : 11040 -11055
PubMed 37561993 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 20 6.14 7.07

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5435470 1 7.07
CHEMBL5399799 1 7.06
CHEMBL5195325 1 6.57
CHEMBL5288416 1 6.55
CHEMBL5438286 1 6.37
CHEMBL5425010 1 6.25
CHEMBL3427141 1 6.23
CHEMBL5270743 1 6.19
CHEMBL4796938 1 6.18
CHEMBL5398423 1 6.18
CHEMBL5415290 1 6.14
CHEMBL3427168 1 6.11
CHEMBL5431050 1 6.04
CHEMBL5276875 1 5.96
CHEMBL5427537 1 5.80
CHEMBL5267952 1 5.57
CHEMBL5437518 1 5.54
CHEMBL5396546 1 5.46
CHEMBL5398911 1 5.44
CHEMBL5397315 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5435470 EC50 = 85.0 nM 7.07
CHEMBL5399799 EC50 = 88.0 nM 7.06
CHEMBL5195325 EC50 = 270.0 nM 6.57
CHEMBL5288416 EC50 = 280.0 nM 6.55
CHEMBL5438286 EC50 = 430.0 nM 6.37
CHEMBL5425010 EC50 = 560.0 nM 6.25
CHEMBL3427141 EC50 = 590.0 nM 6.23
CHEMBL5270743 EC50 = 650.0 nM 6.19
CHEMBL4796938 EC50 = 660.0 nM 6.18
CHEMBL5398423 EC50 = 660.0 nM 6.18
CHEMBL5415290 EC50 = 730.0 nM 6.14
CHEMBL3427168 EC50 = 770.0 nM 6.11
CHEMBL5431050 EC50 = 910.0 nM 6.04
CHEMBL5276875 EC50 = 1100.0 nM 5.96
CHEMBL5427537 EC50 = 1600.0 nM 5.80
CHEMBL5267952 EC50 = 2700.0 nM 5.57
CHEMBL5437518 EC50 = 2900.0 nM 5.54
CHEMBL5396546 EC50 = 3500.0 nM 5.46
CHEMBL5398911 EC50 = 3600.0 nM 5.44
CHEMBL5397315 EC50 > 10000.0 nM -