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Assay Detail

CHEMBL5039255

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

Binding
Inhibition of SARS-CoV2 3C-like protease expressed in Escherichia coli BL21 (DE3) cells using Mca-AVLQSGFR-Lys(Dnp)-Lys-NH2 as fluorogenic substrate incubated for 10 mins by FRET assay
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Severe acute respiratory syndrome coronavirus 2
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
Dai W, Jochmans D, Xie H, Yang H, Li J, Su H, Chang D, Wang J, Peng J, Zhu L, Nian Y, Hilgenfeld R, Jiang H, Chen K, Zhang L, Xu Y, Neyts J, Liu H.
J Med Chem (2022) 65 : 2794 -2808
PubMed 33872498 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 7.06 7.47

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5076204 1 7.47
CHEMBL5092077 1 7.23
CHEMBL5084942 1 7.19
CHEMBL5094273 1 7.17
CHEMBL5093941 1 7.17
CHEMBL5087722 1 7.17
CHEMBL5087004 1 7.11
CHEMBL5092841 1 7.10
CHEMBL5078067 1 7.01
CHEMBL5082778 1 6.92
CHEMBL5086301 1 6.85
CHEMBL5069521 1 6.75
CHEMBL5090935 1 6.62

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5076204 IC50 = 34.0 nM 7.47
CHEMBL5092077 IC50 = 59.0 nM 7.23
CHEMBL5084942 IC50 = 65.0 nM 7.19
CHEMBL5094273 IC50 = 67.0 nM 7.17
CHEMBL5093941 IC50 = 68.0 nM 7.17
CHEMBL5087722 IC50 = 67.0 nM 7.17
CHEMBL5087004 IC50 = 78.0 nM 7.11
CHEMBL5092841 IC50 = 80.0 nM 7.10
CHEMBL5078067 IC50 = 97.0 nM 7.01
CHEMBL5082778 IC50 = 120.0 nM 6.92
CHEMBL5086301 IC50 = 140.0 nM 6.85
CHEMBL5069521 IC50 = 180.0 nM 6.75
CHEMBL5090935 IC50 = 240.0 nM 6.62