Assay Detail
Binding
CHEMBL5628558
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant full length his tagged C-terminal SARS-CoV 2 main protease (M1 to Q307 residues) expressed in Escherichia coli BL21 (DE3) cells using LGSAVLQ-Rh110-dP as peptide substrate preincubated for 1 hr followed by substrate addition and measured after 24 hrs by fluorescence based analysis
35
Total Activities
35
Compounds Tested
1
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 antiviral SARS-CoV-2 main protease inhibitors by structure-guided hit-to-lead optimization of carmofur.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 35 | 5.60 | 6.46 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5631518 | — | — | 1 | 6.46 |
| CHEMBL5633930 | — | — | 1 | 6.43 |
| CHEMBL5632811 | — | — | 1 | 6.24 |
| CHEMBL5633225 | — | — | 1 | 6.16 |
| CHEMBL5632920 | — | — | 1 | 6.10 |
| CHEMBL5631538 | — | — | 1 | 6.01 |
| CHEMBL5632186 | — | — | 1 | 5.92 |
| CHEMBL5631290 | — | — | 1 | 5.89 |
| CHEMBL5632123 | — | — | 1 | 5.85 |
| CHEMBL5632978 | — | — | 1 | 5.82 |
| CHEMBL5633196 | — | — | 1 | 5.80 |
| CHEMBL5631306 | — | — | 1 | 5.77 |
| CHEMBL5632676 | — | — | 1 | 5.72 |
| CHEMBL5632782 | — | — | 1 | 5.62 |
| CHEMBL5631345 | — | — | 1 | 5.60 |
| CHEMBL5629950 | — | — | 1 | 5.58 |
| CHEMBL5633928 | — | — | 1 | 5.51 |
| CHEMBL5631646 | — | — | 1 | 5.48 |
| CHEMBL5631334 | — | — | 1 | 5.47 |
| CHEMBL5632793 | — | — | 1 | 5.42 |
| CHEMBL5633832 | — | — | 1 | 5.42 |
| CHEMBL5632889 | — | — | 1 | 5.41 |
| CHEMBL5633197 | — | — | 1 | 5.41 |
| CHEMBL5632482 | — | — | 1 | 5.36 |
| CHEMBL5631689 | — | — | 1 | 5.35 |
| CHEMBL5631415 | — | — | 1 | 5.34 |
| CHEMBL460499 | CARMOFUR | 2.0 | 1 | 5.32 |
| CHEMBL5631416 | — | — | 1 | 5.31 |
| CHEMBL5633371 | — | — | 1 | 5.29 |
| CHEMBL2333032 | — | — | 1 | 5.26 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5631518 | — | IC50 | = | 350.0 | nM | 6.46 |
| CHEMBL5633930 | — | IC50 | = | 370.0 | nM | 6.43 |
| CHEMBL5632811 | — | IC50 | = | 570.0 | nM | 6.24 |
| CHEMBL5633225 | — | IC50 | = | 700.0 | nM | 6.16 |
| CHEMBL5632920 | — | IC50 | = | 790.0 | nM | 6.10 |
| CHEMBL5631538 | — | IC50 | = | 970.0 | nM | 6.01 |
| CHEMBL5632186 | — | IC50 | = | 1200.0 | nM | 5.92 |
| CHEMBL5631290 | — | IC50 | = | 1300.0 | nM | 5.89 |
| CHEMBL5632123 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL5632978 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL5633196 | — | IC50 | = | 1600.0 | nM | 5.80 |
| CHEMBL5631306 | — | IC50 | = | 1700.0 | nM | 5.77 |
| CHEMBL5632676 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL5632782 | — | IC50 | = | 2400.0 | nM | 5.62 |
| CHEMBL5631345 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL5629950 | — | IC50 | = | 2600.0 | nM | 5.58 |
| CHEMBL5633928 | — | IC50 | = | 3100.0 | nM | 5.51 |
| CHEMBL5631646 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL5631334 | — | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL5632793 | — | IC50 | = | 3800.0 | nM | 5.42 |
| CHEMBL5633832 | — | IC50 | = | 3800.0 | nM | 5.42 |
| CHEMBL5632889 | — | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL5633197 | — | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL5632482 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL5631689 | — | IC50 | = | 4500.0 | nM | 5.35 |
| CHEMBL5631415 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL460499 | CARMOFUR | IC50 | = | 4800.0 | nM | 5.32 |
| CHEMBL5631416 | — | IC50 | = | 4900.0 | nM | 5.31 |
| CHEMBL5633371 | — | IC50 | = | 5100.0 | nM | 5.29 |
| CHEMBL2333032 | — | IC50 | = | 5500.0 | nM | 5.26 |
| CHEMBL2333034 | — | IC50 | = | 6200.0 | nM | 5.21 |
| CHEMBL2333042 | — | IC50 | = | 7400.0 | nM | 5.13 |
| CHEMBL2333033 | — | IC50 | = | 7400.0 | nM | 5.13 |
| CHEMBL2333031 | — | IC50 | = | 7600.0 | nM | 5.12 |
| CHEMBL2333065 | — | IC50 | = | 9800.0 | nM | 5.01 |