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Assay Detail

CHEMBL5550820

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

Functional
Antiviral activity against SARS-CoV-2 USA-WA1/2020 infected in human HeLa cells harbouring ACE2 assessed as reduction in cytopathic effect pretreated with cells followed by viral infection and measured after 24 hrs by fluorescence based analysis
40
Total Activities
40
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Carney DW, Leffler AE, Bell JA, Chandrasinghe AS, Cheng C, Chang E, Dornford A, Dougan DR, Frye LL, Grimes ME, Knehans T, Knight JL, Komandla M, Lane W, Li H, Newman SR, Phimister K, Saikatendu KS, Silverstein H, Vafaei S.
Bioorg Med Chem (2024) 103 : 117577 -117577
PubMed 38518735 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 40 6.16 7.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5565685 1 7.05
CHEMBL5565858 1 6.96
CHEMBL5570210 1 6.92
CHEMBL5574551 1 6.80
CHEMBL5572787 1 6.77
CHEMBL5563513 1 6.71
CHEMBL5591360 1 6.62
CHEMBL5570816 1 6.60
CHEMBL5571280 1 6.57
CHEMBL5590624 1 6.52
CHEMBL5575793 1 6.52
CHEMBL5574569 1 6.52
CHEMBL5567063 1 6.47
CHEMBL5562781 1 6.46
CHEMBL5574928 1 6.43
CHEMBL5571332 1 6.39
CHEMBL5583904 1 6.33
CHEMBL5567237 1 6.28
CHEMBL5572795 1 6.20
CHEMBL5574536 1 6.16
CHEMBL5572085 1 6.14
CHEMBL5571608 1 6.11
CHEMBL5565724 1 5.96
CHEMBL5572886 1 5.89
CHEMBL5562905 1 5.89
CHEMBL5562962 1 5.85
CHEMBL5570525 1 5.75
CHEMBL5570296 1 5.75
CHEMBL5575126 1 5.66
CHEMBL5595277 1 5.60

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5565685 EC50 = 90.0 nM 7.05
CHEMBL5565858 EC50 = 110.0 nM 6.96
CHEMBL5570210 EC50 = 120.0 nM 6.92
CHEMBL5574551 EC50 = 160.0 nM 6.80
CHEMBL5572787 EC50 = 170.0 nM 6.77
CHEMBL5563513 EC50 = 196.0 nM 6.71
CHEMBL5591360 EC50 = 240.0 nM 6.62
CHEMBL5570816 EC50 = 250.0 nM 6.60
CHEMBL5571280 EC50 = 270.0 nM 6.57
CHEMBL5574569 EC50 = 300.0 nM 6.52
CHEMBL5575793 EC50 = 300.0 nM 6.52
CHEMBL5590624 EC50 = 300.0 nM 6.52
CHEMBL5567063 EC50 = 340.0 nM 6.47
CHEMBL5562781 EC50 = 343.0 nM 6.46
CHEMBL5574928 EC50 = 370.0 nM 6.43
CHEMBL5571332 EC50 = 410.0 nM 6.39
CHEMBL5583904 EC50 = 470.0 nM 6.33
CHEMBL5567237 EC50 = 530.0 nM 6.28
CHEMBL5572795 EC50 = 630.0 nM 6.20
CHEMBL5574536 EC50 = 690.0 nM 6.16
CHEMBL5572085 EC50 = 720.0 nM 6.14
CHEMBL5571608 EC50 = 770.0 nM 6.11
CHEMBL5565724 EC50 = 1100.0 nM 5.96
CHEMBL5572886 EC50 = 1300.0 nM 5.89
CHEMBL5562905 EC50 = 1300.0 nM 5.89
CHEMBL5562962 EC50 = 1400.0 nM 5.85
CHEMBL5570525 EC50 = 1800.0 nM 5.75
CHEMBL5570296 EC50 = 1800.0 nM 5.75
CHEMBL5575126 EC50 = 2200.0 nM 5.66
CHEMBL5595277 EC50 = 2500.0 nM 5.60
CHEMBL5571893 EC50 = 4000.0 nM 5.40
CHEMBL5573206 EC50 = 7100.0 nM 5.15
CHEMBL5564296 EC50 = 8500.0 nM 5.07
CHEMBL5573701 EC50 = 8800.0 nM 5.06
CHEMBL5573233 EC50 = 9200.0 nM 5.04
CHEMBL5565166 EC50 - -
CHEMBL5573583 EC50 - -
CHEMBL5574830 EC50 - -
CHEMBL5593300 EC50 - -
CHEMBL5593819 EC50 - -