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Assay Detail

CHEMBL5117299

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

Binding
Inhibition of eGFP fused SARS-CoV2 main protease transfected in HEK293T/17 cells incubated for 72 hrs by fluorescence based flow cytometry analysis
26
Total Activities
26
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 multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals.
Ma Y, Yang KS, Geng ZZ, Alugubelli YR, Shaabani N, Vatansever EC, Ma XR, Cho CC, Khatua K, Xiao J, Blankenship LR, Yu G, Sankaran B, Li P, Allen R, Ji H, Xu S, Liu WR.
Eur J Med Chem (2022) 240 : 114570 -114570
PubMed 35779291 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 26 6.55 7.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4852855 1 7.52
CHEMBL5190267 1 7.25
CHEMBL5176166 1 7.01
CHEMBL5178763 1 6.92
CHEMBL5193629 1 6.85
CHEMBL5203900 1 6.72
CHEMBL5173899 1 6.64
CHEMBL5177381 1 6.20
CHEMBL5202077 1 6.18
CHEMBL5203715 1 6.07
CHEMBL5178556 1 5.82
CHEMBL5201264 1 5.47
CHEMBL5183770 1 -
CHEMBL5202866 1 -
CHEMBL5178875 1 -
CHEMBL5205477 1 -
CHEMBL5189578 1 -
CHEMBL5172231 1 -
CHEMBL5185670 1 -
CHEMBL5169820 1 -
CHEMBL5204033 1 -
CHEMBL5171771 1 -
CHEMBL5203726 1 -
CHEMBL5208464 1 -
CHEMBL5205992 1 -
CHEMBL5199403 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4852855 EC50 = 30.0 nM 7.52
CHEMBL5190267 EC50 = 56.0 nM 7.25
CHEMBL5176166 EC50 = 97.0 nM 7.01
CHEMBL5178763 EC50 = 120.0 nM 6.92
CHEMBL5193629 EC50 = 140.0 nM 6.85
CHEMBL5203900 EC50 = 190.0 nM 6.72
CHEMBL5173899 EC50 = 230.0 nM 6.64
CHEMBL5177381 EC50 = 630.0 nM 6.20
CHEMBL5202077 EC50 = 660.0 nM 6.18
CHEMBL5203715 EC50 = 860.0 nM 6.07
CHEMBL5178556 EC50 = 1500.0 nM 5.82
CHEMBL5201264 EC50 = 3400.0 nM 5.47
CHEMBL5183770 EC50 > 2000.0 nM -
CHEMBL5202866 EC50 > 2000.0 nM -
CHEMBL5178875 EC50 > 2000.0 nM -
CHEMBL5205477 EC50 > 2000.0 nM -
CHEMBL5189578 EC50 > 2000.0 nM -
CHEMBL5172231 EC50 - -
CHEMBL5185670 EC50 > 2000.0 nM -
CHEMBL5169820 EC50 > 2000.0 nM -
CHEMBL5204033 EC50 > 10000.0 nM -
CHEMBL5171771 EC50 > 2000.0 nM -
CHEMBL5203726 EC50 > 10000.0 nM -
CHEMBL5208464 EC50 > 2000.0 nM -
CHEMBL5205992 EC50 > 2000.0 nM -
CHEMBL5199403 EC50 > 10000.0 nM -