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Assay Detail

CHEMBL5145098

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

Binding
Inhibition of SARS-CoV-2 main protease using Mca-AVLQSGFRK(Dnp)K as substrate preincubated with enzyme for 10 mins followed by substrate addition and measured every 30 secs for 10 mins by fluorescence based analysis
ChEMBL ↗
45
Total Activities
45
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

Discovery of highly potent SARS-CoV-2 M<sup>pro</sup> inhibitors based on benzoisothiazolone scaffold.
Chen W, Feng B, Han S, Wang P, Chen W, Zang Y, Li J, Hu Y.
Bioorg Med Chem Lett (2022) 58 : 128526 -128526
PubMed 34998903 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 45 6.48 6.93

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5189273 — — 1 6.93
CHEMBL5200414 — — 1 6.92
CHEMBL5176486 — — 1 6.85
CHEMBL5186395 — — 1 6.82
CHEMBL5178149 — — 1 6.82
CHEMBL5201817 — — 1 6.82
CHEMBL5176190 — — 1 6.80
CHEMBL1709906 — — 1 6.78
CHEMBL5170578 — — 1 6.75
CHEMBL1703831 — — 1 6.72
CHEMBL5198897 — — 1 6.72
CHEMBL5188739 — — 1 6.72
CHEMBL5191265 — — 1 6.68
CHEMBL5183334 — — 1 6.66
CHEMBL5182008 — — 1 6.65
CHEMBL5173090 — — 1 6.64
CHEMBL5198660 — — 1 6.60
CHEMBL5204604 — — 1 6.60
CHEMBL5188666 — — 1 6.54
CHEMBL5182841 — — 1 6.54
CHEMBL5177648 — — 1 6.52
CHEMBL5175672 — — 1 6.51
CHEMBL5199130 — — 1 6.48
CHEMBL5201634 — — 1 6.48
CHEMBL5177146 — — 1 6.47
CHEMBL5207227 — — 1 6.42
CHEMBL5204705 — — 1 6.41
CHEMBL5187129 — — 1 6.41
CHEMBL5172482 — — 1 6.40
CHEMBL5175153 — — 1 6.38

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5189273 — IC50 = 116.8 nM 6.93
CHEMBL5200414 — IC50 = 120.0 nM 6.92
CHEMBL5176486 — IC50 = 140.0 nM 6.85
CHEMBL5186395 — IC50 = 153.1 nM 6.82
CHEMBL5178149 — IC50 = 150.0 nM 6.82
CHEMBL5201817 — IC50 = 150.0 nM 6.82
CHEMBL5176190 — IC50 = 160.0 nM 6.80
CHEMBL1709906 — IC50 = 165.2 nM 6.78
CHEMBL5170578 — IC50 = 180.0 nM 6.75
CHEMBL1703831 — IC50 = 190.0 nM 6.72
CHEMBL5198897 — IC50 = 190.0 nM 6.72
CHEMBL5188739 — IC50 = 190.0 nM 6.72
CHEMBL5191265 — IC50 = 210.0 nM 6.68
CHEMBL5183334 — IC50 = 220.2 nM 6.66
CHEMBL5182008 — IC50 = 224.2 nM 6.65
CHEMBL5173090 — IC50 = 230.0 nM 6.64
CHEMBL5198660 — IC50 = 253.0 nM 6.60
CHEMBL5204604 — IC50 = 250.0 nM 6.60
CHEMBL5188666 — IC50 = 286.6 nM 6.54
CHEMBL5182841 — IC50 = 286.7 nM 6.54
CHEMBL5177648 — IC50 = 300.0 nM 6.52
CHEMBL5175672 — IC50 = 310.0 nM 6.51
CHEMBL5199130 — IC50 = 333.5 nM 6.48
CHEMBL5201634 — IC50 = 328.0 nM 6.48
CHEMBL5177146 — IC50 = 334.8 nM 6.47
CHEMBL5207227 — IC50 = 380.0 nM 6.42
CHEMBL5204705 — IC50 = 388.3 nM 6.41
CHEMBL5187129 — IC50 = 392.7 nM 6.41
CHEMBL5172482 — IC50 = 400.0 nM 6.40
CHEMBL5175153 — IC50 = 416.0 nM 6.38
CHEMBL5191706 — IC50 = 443.1 nM 6.35
CHEMBL5179454 — IC50 = 490.0 nM 6.31
CHEMBL5191848 — IC50 = 524.02 nM 6.28
CHEMBL5198161 — IC50 = 539.9 nM 6.27
CHEMBL5190812 — IC50 = 680.0 nM 6.17
CHEMBL5170392 — IC50 = 1571.3 nM 5.80
CHEMBL5177329 — IC50 = 1767.0 nM 5.75
CHEMBL1532997 — IC50 = 2293.0 nM 5.64
CHEMBL5187806 — IC50 = 10977.0 nM 4.96
CHEMBL5174872 — IC50 - — -
CHEMBL5188498 — IC50 - — -
CHEMBL5171423 — IC50 - — -
CHEMBL5205650 — IC50 - — -
CHEMBL5203695 — IC50 - — -
CHEMBL5194709 — IC50 - — -