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Assay Detail

CHEMBL5112760

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

Functional
Antiviral activity against SARS CoV-2 omicron TY38-873 BA.2 variant infected in HEK293T cells transfected with ACE2 and TMPRSS2 assessed as inhibition of virus induced cytopathic effect incubated for 2 to 3 days by MTT assay
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Severe acute respiratory syndrome coronavirus 2
Cell Type HEK293T
Confidence 1 — Organism
Curated By Autocuration

Target

SARS-CoV-2 (CHEMBL4303835)
Type ORGANISM
Organism Severe acute respiratory syndrome coronavirus 2

Publication

Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
Hirose Y, Shindo N, Mori M, Onitsuka S, Isogai H, Hamada R, Hiramoto T, Ochi J, Takahashi D, Ueda T, Caaveiro JMM, Yoshida Y, Ohdo S, Matsunaga N, Toba S, Sasaki M, Orba Y, Sawa H, Sato A, Kawanishi E, Ojida A.
J Med Chem (2022) 65 : 13852 -13865
PubMed 36229406 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 8 7.05 7.77

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5179778 1 7.77
CHEMBL5198073 1 7.74
CHEMBL4802135 NIRMATRELVIR 4.0 1 7.66
CHEMBL5195394 1 6.92
CHEMBL5190754 1 6.90
CHEMBL5179611 1 6.88
CHEMBL2178720 N-HYDROXYCYTIDINE -1.0 1 6.47
CHEMBL4777223 PF-00835231 -1.0 1 6.08

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5179778 EC50 = 17.1 nM 7.77
CHEMBL5198073 EC50 = 18.3 nM 7.74
CHEMBL4802135 NIRMATRELVIR EC50 = 21.7 nM 7.66
CHEMBL5195394 EC50 = 121.0 nM 6.92
CHEMBL5190754 EC50 = 126.0 nM 6.90
CHEMBL5179611 EC50 = 131.0 nM 6.88
CHEMBL2178720 N-HYDROXYCYTIDINE EC50 = 336.0 nM 6.47
CHEMBL4777223 PF-00835231 EC50 = 832.0 nM 6.08