Assay Detail
Binding
CHEMBL4833429
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Inhibition of SARS-CoV-2 3CL protease using HiyteFluor-488ESATL-QSGLRKAK-(QXL)-NH2 fluorogenic peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by FRET assay
21
Total Activities
21
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 |
Publication
Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 21 | 5.93 | 7.14 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4852507 | — | — | 1 | 7.14 |
| CHEMBL496316 | — | — | 1 | 6.92 |
| CHEMBL490820 | — | — | 1 | 6.60 |
| CHEMBL510559 | — | — | 1 | 6.51 |
| CHEMBL4874639 | — | — | 1 | 6.50 |
| CHEMBL4866309 | — | — | 1 | 6.47 |
| CHEMBL4858401 | — | — | 1 | 6.42 |
| CHEMBL4860159 | — | — | 1 | 6.38 |
| CHEMBL4879042 | — | — | 1 | 6.33 |
| CHEMBL4848976 | — | — | 1 | 6.31 |
| CHEMBL4853474 | — | — | 1 | 6.23 |
| CHEMBL4846171 | — | — | 1 | 6.06 |
| CHEMBL4853263 | — | — | 1 | 6.05 |
| CHEMBL4875182 | — | — | 1 | 5.92 |
| CHEMBL4862535 | — | — | 1 | 5.66 |
| CHEMBL4857985 | — | — | 1 | 5.36 |
| CHEMBL4864512 | — | — | 1 | 4.99 |
| CHEMBL4872700 | — | — | 1 | 4.82 |
| CHEMBL4864365 | — | — | 1 | 4.00 |
| CHEMBL4874041 | — | — | 1 | 4.00 |
| CHEMBL4859897 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4852507 | — | IC50 | = | 73.0 | nM | 7.14 |
| CHEMBL496316 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL490820 | — | IC50 | = | 250.0 | nM | 6.60 |
| CHEMBL510559 | — | IC50 | = | 310.0 | nM | 6.51 |
| CHEMBL4874639 | — | IC50 | = | 320.0 | nM | 6.50 |
| CHEMBL4866309 | — | IC50 | = | 340.0 | nM | 6.47 |
| CHEMBL4858401 | — | IC50 | = | 380.0 | nM | 6.42 |
| CHEMBL4860159 | — | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL4879042 | — | IC50 | = | 470.0 | nM | 6.33 |
| CHEMBL4848976 | — | IC50 | = | 490.0 | nM | 6.31 |
| CHEMBL4853474 | — | IC50 | = | 590.0 | nM | 6.23 |
| CHEMBL4846171 | — | IC50 | = | 870.0 | nM | 6.06 |
| CHEMBL4853263 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL4875182 | — | IC50 | = | 1190.0 | nM | 5.92 |
| CHEMBL4862535 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL4857985 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL4864512 | — | IC50 | = | 10300.0 | nM | 4.99 |
| CHEMBL4872700 | — | IC50 | = | 15300.0 | nM | 4.82 |
| CHEMBL4864365 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL4874041 | — | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL4859897 | — | IC50 | > | 100000.0 | nM | - |