Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL5550819

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

Binding
Inhibition of C-terminal 6-his tagged SARS-CoV-2 main protease expressed in Escherichia coli BL-21-Gold(DE3) cells using DabcylKTSAVLQSGFRKM-(Edan) as substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence based Spectramax M2e microplate reader based analysis
ChEMBL ↗
43
Total Activities
43
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Severe acute respiratory syndrome coronavirus 2
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

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
IC50 43 7.50 7.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5565685 — — 1 7.96
CHEMBL5572085 — — 1 7.96
CHEMBL5572787 — — 1 7.96
CHEMBL4802135 NIRMATRELVIR 4.0 1 7.89
CHEMBL5572795 — — 1 7.85
CHEMBL5570296 — — 1 7.82
CHEMBL5570525 — — 1 7.82
CHEMBL5565858 — — 1 7.82
CHEMBL5567237 — — 1 7.80
CHEMBL5571893 — — 1 7.77
CHEMBL5591360 — — 1 7.75
CHEMBL5562905 — — 1 7.70
CHEMBL5571332 — — 1 7.70
CHEMBL5574928 — — 1 7.70
CHEMBL5575793 — — 1 7.68
CHEMBL5570210 — — 1 7.66
CHEMBL5562781 — — 1 7.64
CHEMBL5573233 — — 1 7.64
CHEMBL5567063 — — 1 7.60
CHEMBL5574551 — — 1 7.60
CHEMBL5595277 — — 1 7.58
CHEMBL5571608 — — 1 7.58
CHEMBL5564296 — — 1 7.58
CHEMBL5573206 — — 1 7.58
CHEMBL5573701 — — 1 7.57
CHEMBL5570816 — — 1 7.55
CHEMBL5590624 — — 1 7.54
CHEMBL5574536 — — 1 7.50
CHEMBL5562962 — — 1 7.43
CHEMBL5571280 — — 1 7.39

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5565685 — IC50 = 11.0 nM 7.96
CHEMBL5572787 — IC50 = 11.0 nM 7.96
CHEMBL5572085 — IC50 = 11.0 nM 7.96
CHEMBL4802135 NIRMATRELVIR IC50 = 13.0 nM 7.89
CHEMBL5572795 — IC50 = 14.0 nM 7.85
CHEMBL5570296 — IC50 = 15.0 nM 7.82
CHEMBL5570525 — IC50 = 15.0 nM 7.82
CHEMBL5565858 — IC50 = 15.0 nM 7.82
CHEMBL5567237 — IC50 = 16.0 nM 7.80
CHEMBL5571893 — IC50 = 17.0 nM 7.77
CHEMBL5591360 — IC50 = 18.0 nM 7.75
CHEMBL5571332 — IC50 = 20.0 nM 7.70
CHEMBL5574928 — IC50 = 20.0 nM 7.70
CHEMBL5562905 — IC50 = 20.0 nM 7.70
CHEMBL5575793 — IC50 = 21.0 nM 7.68
CHEMBL5570210 — IC50 = 22.0 nM 7.66
CHEMBL5562781 — IC50 = 23.0 nM 7.64
CHEMBL5573233 — IC50 = 23.0 nM 7.64
CHEMBL5567063 — IC50 = 25.0 nM 7.60
CHEMBL5574551 — IC50 = 25.0 nM 7.60
CHEMBL5573206 — IC50 = 26.0 nM 7.58
CHEMBL5571608 — IC50 = 26.0 nM 7.58
CHEMBL5595277 — IC50 = 26.0 nM 7.58
CHEMBL5564296 — IC50 = 26.0 nM 7.58
CHEMBL5573701 — IC50 = 27.0 nM 7.57
CHEMBL5570816 — IC50 = 28.0 nM 7.55
CHEMBL5590624 — IC50 = 29.0 nM 7.54
CHEMBL5574536 — IC50 = 32.0 nM 7.50
CHEMBL5562962 — IC50 = 37.0 nM 7.43
CHEMBL5571280 — IC50 = 40.3 nM 7.39
CHEMBL5572886 — IC50 = 44.0 nM 7.36
CHEMBL5575126 — IC50 = 45.0 nM 7.35
CHEMBL5583904 — IC50 = 45.0 nM 7.35
CHEMBL5565724 — IC50 = 46.0 nM 7.34
CHEMBL5565166 — IC50 = 65.0 nM 7.19
CHEMBL5573583 — IC50 = 82.0 nM 7.09
CHEMBL5593819 — IC50 = 100.0 nM 7.00
CHEMBL5569851 — IC50 = 180.0 nM 6.75
CHEMBL5574830 — IC50 = 210.0 nM 6.68
CHEMBL5594722 — IC50 = 400.0 nM 6.40
CHEMBL5593300 — IC50 = 500.0 nM 6.30
CHEMBL5563513 — IC50 < 10.0 nM -
CHEMBL5574569 — IC50 < 10.0 nM -