Assay Detail
Binding
CHEMBL2439385
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Inhibition of SARS coronavirus 3CL-protease by fluorescence assay
18
Total Activities
18
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Severe acute respiratory syndrome-related coronavirus |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Replicase polyprotein 1a (CHEMBL3927) ↗| Type | SINGLE PROTEIN |
| Organism | Severe acute respiratory syndrome-related coronavirus |
Publication
Development of potent dipeptide-type SARS-CoV 3CL protease inhibitors with novel P3 scaffolds: design, synthesis, biological evaluation, and docking studies.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 18 | 6.62 | 8.20 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2435614 | — | — | 1 | 8.20 |
| CHEMBL2435605 | — | — | 1 | 7.66 |
| CHEMBL2435617 | — | — | 1 | 7.58 |
| CHEMBL2435612 | — | — | 1 | 7.55 |
| CHEMBL2435616 | — | — | 1 | 7.52 |
| CHEMBL2435615 | — | — | 1 | 7.32 |
| CHEMBL2435622 | — | — | 1 | 7.19 |
| CHEMBL2435610 | — | — | 1 | 7.17 |
| CHEMBL2435607 | — | — | 1 | 6.92 |
| CHEMBL2435611 | — | — | 1 | 6.80 |
| CHEMBL2435613 | — | — | 1 | 6.48 |
| CHEMBL2435609 | — | — | 1 | 6.17 |
| CHEMBL2435606 | — | — | 1 | 6.10 |
| CHEMBL2435621 | — | — | 1 | 5.77 |
| CHEMBL2435620 | — | — | 1 | 5.57 |
| CHEMBL2435618 | — | — | 1 | 5.17 |
| CHEMBL2435619 | — | — | 1 | 5.12 |
| CHEMBL2435608 | — | — | 1 | 4.85 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2435614 | — | Ki | = | 6.3 | nM | 8.20 |
| CHEMBL2435605 | — | Ki | = | 22.0 | nM | 7.66 |
| CHEMBL2435617 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL2435612 | — | Ki | = | 28.0 | nM | 7.55 |
| CHEMBL2435616 | — | Ki | = | 30.0 | nM | 7.52 |
| CHEMBL2435615 | — | Ki | = | 48.0 | nM | 7.32 |
| CHEMBL2435622 | — | Ki | = | 65.0 | nM | 7.19 |
| CHEMBL2435610 | — | Ki | = | 67.0 | nM | 7.17 |
| CHEMBL2435607 | — | Ki | = | 120.0 | nM | 6.92 |
| CHEMBL2435611 | — | Ki | = | 160.0 | nM | 6.80 |
| CHEMBL2435613 | — | Ki | = | 330.0 | nM | 6.48 |
| CHEMBL2435609 | — | Ki | = | 680.0 | nM | 6.17 |
| CHEMBL2435606 | — | Ki | = | 800.0 | nM | 6.10 |
| CHEMBL2435621 | — | Ki | = | 1700.0 | nM | 5.77 |
| CHEMBL2435620 | — | Ki | = | 2700.0 | nM | 5.57 |
| CHEMBL2435618 | — | Ki | = | 6700.0 | nM | 5.17 |
| CHEMBL2435619 | — | Ki | = | 7500.0 | nM | 5.12 |
| CHEMBL2435608 | — | Ki | = | 14000.0 | nM | 4.85 |