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Assay Detail

CHEMBL5044548

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Binding
Inhibition of SARS-CoV-2 3CL protease
4
Total Activities
4
Compounds Tested
2
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 in vitro evaluation of novel SARS-CoV-2 3CL<sup>pro</sup> covalent inhibitors.
Stille JK, Tjutrins J, Wang G, Venegas FA, Hennecker C, Rueda AM, Sharon I, Blaine N, Miron CE, Pinus S, Labarre A, Plescia J, Burai Patrascu M, Zhang X, Wahba AS, Vlaho D, Huot MJ, Schmeing TM, Mittermaier AK, Moitessier N.
Eur J Med Chem (2022) 229 : 114046 -114046
PubMed 34995923 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 2 6.65 7.70
Ki 2 9.57 9.57

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4802214 LUFOTRELVIR 3.0 1 9.57
CHEMBL4777223 PF-00835231 -1.0 1 9.57
CHEMBL4867191 1 7.70
CHEMBL1908391 MASITINIB 3.0 1 5.60

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4802214 LUFOTRELVIR Ki = 0.27 nM 9.57
CHEMBL4777223 PF-00835231 Ki = 0.27 nM 9.57
CHEMBL4867191 IC50 = 20.0 nM 7.70
CHEMBL1908391 MASITINIB IC50 = 2500.0 nM 5.60