Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL5043049

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

Functional
Antiviral activity against SARS Cov-2 USA_WA1/2020 infected in Vero E6 cells expressing ACE2 reporter assessed as inhibition of viral cytopathic effect measured after 68 hrs post infection by neutral red uptake assay
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Severe acute respiratory syndrome coronavirus 2
Cell Type Vero E6
Confidence 1 — Organism
Curated By Autocuration

Target

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

Publication

Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL<sup>pro</sup>).
Han SH, Goins CM, Arya T, Shin WJ, Maw J, Hooper A, Sonawane DP, Porter MR, Bannister BE, Crouch RD, Lindsey AA, Lakatos G, Martinez SR, Alvarado J, Akers WS, Wang NS, Jung JU, Macdonald JD, Stauffer SR.
J Med Chem (2022) 65 : 2880 -2904
PubMed 34347470 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 13 5.51 6.47

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4061258 1 6.47
CHEMBL5087481 1 6.30
CHEMBL5092107 1 5.76
CHEMBL5090994 1 5.72
CHEMBL5075864 1 5.70
CHEMBL5076577 1 5.64
CHEMBL5094026 1 5.53
CHEMBL5081675 1 5.42
CHEMBL5092270 1 5.24
CHEMBL5075764 1 5.12
CHEMBL5081793 1 5.06
CHEMBL2442056 1 4.92
CHEMBL2442081 1 4.70

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4061258 EC50 = 340.0 nM 6.47
CHEMBL5087481 EC50 = 497.0 nM 6.30
CHEMBL5092107 EC50 = 1740.0 nM 5.76
CHEMBL5090994 EC50 = 1910.0 nM 5.72
CHEMBL5075864 EC50 = 1980.0 nM 5.70
CHEMBL5076577 EC50 = 2300.0 nM 5.64
CHEMBL5094026 EC50 = 2930.0 nM 5.53
CHEMBL5081675 EC50 = 3810.0 nM 5.42
CHEMBL5092270 EC50 = 5760.0 nM 5.24
CHEMBL5075764 EC50 = 7610.0 nM 5.12
CHEMBL5081793 EC50 = 8770.0 nM 5.06
CHEMBL2442056 EC50 = 12070.0 nM 4.92
CHEMBL2442081 EC50 = 19900.0 nM 4.70