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Assay Detail

CHEMBL5140442

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

Binding
Inhibition of SARS CoV-2 main protease
2
Total Activities
2
Compounds Tested
2
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 2-(furan-2-ylmethylene)hydrazine-1-carbothioamide derivatives as novel inhibitors of SARS-CoV-2 main protease.
Dou X, Sun Q, Xu G, Liu Y, Zhang C, Wang B, Lu Y, Guo Z, Su L, Huo T, Zhao X, Wang C, Yu Z, Song S, Zhang L, Liu Z, Lai L, Jiao N.
Eur J Med Chem (2022) 238 : 114508 -114508
PubMed 35688005 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 1 7.82 7.82
Ki 1 8.52 8.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4802135 NIRMATRELVIR 4.0 1 8.52
CHEMBL5195325 1 7.82

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4802135 NIRMATRELVIR Ki = 3.0 nM 8.52
CHEMBL5195325 IC50 = 15.0 nM 7.82