Assay Detail
Binding
CHEMBL5096247
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Inhibition of SARS-CoV-2 MPro
45
Total Activities
29
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
Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 45 | 5.89 | 7.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3427166 | — | — | 2 | 7.52 |
| CHEMBL5187773 | — | — | 2 | 7.40 |
| CHEMBL5184946 | — | — | 2 | 7.28 |
| CHEMBL5207860 | — | — | 2 | 6.75 |
| CHEMBL5196922 | — | — | 2 | 6.35 |
| CHEMBL51085 | EBSELEN | 3.0 | 1 | 6.17 |
| CHEMBL5208812 | — | — | 2 | 6.17 |
| CHEMBL8260 | BAICALEIN | 2.0 | 2 | 6.03 |
| CHEMBL5180554 | — | — | 2 | 6.01 |
| CHEMBL3545157 | TIDEGLUSIB | 2.0 | 1 | 5.81 |
| CHEMBL460499 | CARMOFUR | 2.0 | 1 | 5.74 |
| CHEMBL5179067 | — | — | 2 | 5.62 |
| CHEMBL4518490 | — | — | 2 | 5.50 |
| CHEMBL64925 | MG-132 | — | 2 | 5.41 |
| CHEMBL218394 | BOCEPREVIR | 4.0 | 2 | 5.38 |
| CHEMBL1255891 | NARLAPREVIR | 3.0 | 2 | 5.24 |
| CHEMBL485818 | BAICALIN | — | 2 | 5.19 |
| CHEMBL304784 | — | — | 2 | 5.07 |
| CHEMBL964 | DISULFIRAM | 4.0 | 1 | 5.03 |
| CHEMBL92708 | CALPEPTIN | — | 2 | 4.97 |
| CHEMBL9470 | SHIKONIN | — | 1 | 4.80 |
| CHEMBL406050 | PX-12 | 2.0 | 1 | 4.67 |
| CHEMBL288365 | — | — | 1 | - |
| CHEMBL20210 | RUPINTRIVIR | 2.0 | 1 | - |
| CHEMBL590799 | CAMOSTAT | 3.0 | 1 | - |
| CHEMBL729 | LOPINAVIR | 4.0 | 1 | - |
| CHEMBL163 | RITONAVIR | 4.0 | 1 | - |
| CHEMBL18786 | CINANSERIN | 2.0 | 1 | - |
| CHEMBL286722 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3427166 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL3427166 | — | IC50 | = | 29.99 | nM | 7.52 |
| CHEMBL5187773 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL5187773 | — | IC50 | = | 39.99 | nM | 7.40 |
| CHEMBL5184946 | — | IC50 | = | 53.0 | nM | 7.28 |
| CHEMBL5184946 | — | IC50 | = | 52.97 | nM | 7.28 |
| CHEMBL5207860 | — | IC50 | = | 180.0 | nM | 6.75 |
| CHEMBL5207860 | — | IC50 | = | 179.89 | nM | 6.75 |
| CHEMBL5196922 | — | IC50 | = | 449.78 | nM | 6.35 |
| CHEMBL5196922 | — | IC50 | = | 450.0 | nM | 6.35 |
| CHEMBL5208812 | — | IC50 | = | 669.88 | nM | 6.17 |
| CHEMBL5208812 | — | IC50 | = | 670.0 | nM | 6.17 |
| CHEMBL51085 | EBSELEN | IC50 | = | 669.88 | nM | 6.17 |
| CHEMBL8260 | BAICALEIN | IC50 | = | 939.72 | nM | 6.03 |
| CHEMBL8260 | BAICALEIN | IC50 | = | 940.0 | nM | 6.03 |
| CHEMBL5180554 | — | IC50 | = | 970.0 | nM | 6.01 |
| CHEMBL5180554 | — | IC50 | = | 970.51 | nM | 6.01 |
| CHEMBL3545157 | TIDEGLUSIB | IC50 | = | 1548.82 | nM | 5.81 |
| CHEMBL460499 | CARMOFUR | IC50 | = | 1819.7 | nM | 5.74 |
| CHEMBL5179067 | — | IC50 | = | 2387.81 | nM | 5.62 |
| CHEMBL5179067 | — | IC50 | = | 2390.0 | nM | 5.62 |
| CHEMBL4518490 | — | IC50 | = | 3140.0 | nM | 5.50 |
| CHEMBL4518490 | — | IC50 | = | 3140.51 | nM | 5.50 |
| CHEMBL64925 | MG-132 | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL64925 | MG-132 | IC50 | = | 3899.42 | nM | 5.41 |
| CHEMBL218394 | BOCEPREVIR | IC50 | = | 4130.0 | nM | 5.38 |
| CHEMBL218394 | BOCEPREVIR | IC50 | = | 4130.48 | nM | 5.38 |
| CHEMBL1255891 | NARLAPREVIR | IC50 | = | 5730.0 | nM | 5.24 |
| CHEMBL1255891 | NARLAPREVIR | IC50 | = | 5727.96 | nM | 5.24 |
| CHEMBL485818 | BAICALIN | IC50 | = | 6412.1 | nM | 5.19 |
| CHEMBL485818 | BAICALIN | IC50 | = | 6410.0 | nM | 5.19 |
| CHEMBL304784 | — | IC50 | = | 8600.0 | nM | 5.07 |
| CHEMBL304784 | — | IC50 | = | 8590.14 | nM | 5.07 |
| CHEMBL964 | DISULFIRAM | IC50 | = | 9354.06 | nM | 5.03 |
| CHEMBL92708 | CALPEPTIN | IC50 | = | 10690.55 | nM | 4.97 |
| CHEMBL92708 | CALPEPTIN | IC50 | = | 10690.0 | nM | 4.97 |
| CHEMBL9470 | SHIKONIN | IC50 | = | 15739.83 | nM | 4.80 |
| CHEMBL406050 | PX-12 | IC50 | = | 21379.62 | nM | 4.67 |
| CHEMBL286722 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL163 | RITONAVIR | IC50 | > | 20000.0 | nM | - |
| CHEMBL288365 | — | IC50 | > | 20000.0 | nM | - |
| CHEMBL20210 | RUPINTRIVIR | IC50 | > | 20000.0 | nM | - |
| CHEMBL590799 | CAMOSTAT | IC50 | > | 20000.0 | nM | - |
| CHEMBL729 | LOPINAVIR | IC50 | > | 20000.0 | nM | - |
| CHEMBL18786 | CINANSERIN | IC50 | = | 125025.9 | nM | - |