Assay Detail
Functional
CHEMBL4495583
Review assay metadata, readout intent, target linkage, and publication context from the same page.
SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate
117
Total Activities
109
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Functional |
| 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
Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screen
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 117 | 6.21 | 8.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL508338 | THIMEROSAL | 3.0 | 1 | 8.00 |
| CHEMBL1333953 | PHENYLMERCURIC ACETATE | — | 1 | 8.00 |
| CHEMBL3963349 | — | — | 1 | 8.00 |
| CHEMBL1725120 | — | — | 1 | 7.70 |
| CHEMBL8260 | BAICALEIN | 2.0 | 1 | 7.70 |
| CHEMBL51085 | EBSELEN | 3.0 | 1 | 7.52 |
| CHEMBL510038 | — | — | 1 | 7.52 |
| CHEMBL4303595 | — | — | 2 | 7.40 |
| CHEMBL1356238 | PYRITHIONE | 4.0 | 1 | 7.30 |
| CHEMBL120563 | THIRAM | 2.0 | 1 | 7.30 |
| CHEMBL3545157 | TIDEGLUSIB | 2.0 | 2 | 7.10 |
| CHEMBL505670 | — | — | 1 | 7.00 |
| CHEMBL1255778 | BENSERAZIDE HYDROCHLORIDE | — | 1 | 6.85 |
| CHEMBL406050 | PX-12 | 2.0 | 1 | 6.85 |
| CHEMBL284861 | — | — | 1 | 6.85 |
| CHEMBL1096979 | BENSERAZIDE | 3.0 | 1 | 6.85 |
| CHEMBL1422849 | — | — | 1 | 6.82 |
| CHEMBL1917204 | — | — | 2 | 6.82 |
| CHEMBL460499 | CARMOFUR | 2.0 | 1 | 6.80 |
| CHEMBL508112 | BENZOTHIAZYL DISULFIDE | — | 1 | 6.80 |
| CHEMBL3348861 | AMPELOPSIN | 2.0 | 1 | 6.75 |
| CHEMBL105712 | PHENACYL CHLORIDE | — | 1 | 6.72 |
| CHEMBL1886408 | — | — | 1 | 6.70 |
| CHEMBL178459 | OLTIPRAZ | 3.0 | 2 | 6.68 |
| CHEMBL4303702 | — | — | 1 | 6.68 |
| CHEMBL1449651 | PYRROLIDINE DITHIOCARBAMIC ACID, AMMONIUM SALT | — | 1 | 6.68 |
| CHEMBL164 | MYRICETIN | — | 2 | 6.66 |
| CHEMBL964 | DISULFIRAM | 4.0 | 1 | 6.66 |
| CHEMBL477197 | HEMATOXYLIN | — | 1 | 6.66 |
| CHEMBL3833381 | MERBROMIN | 2.0 | 1 | 6.62 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1333953 | PHENYLMERCURIC ACETATE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL508338 | THIMEROSAL | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL3963349 | — | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL1725120 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL8260 | BAICALEIN | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL510038 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL51085 | EBSELEN | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL4303595 | — | IC50 | = | 40.0 | nM | 7.40 |
| CHEMBL120563 | THIRAM | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL1356238 | PYRITHIONE | IC50 | = | 50.0 | nM | 7.30 |
| CHEMBL3545157 | TIDEGLUSIB | IC50 | = | 80.0 | nM | 7.10 |
| CHEMBL505670 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL284861 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL406050 | PX-12 | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL1255778 | BENSERAZIDE HYDROCHLORIDE | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL1096979 | BENSERAZIDE | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL1422849 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL3545157 | TIDEGLUSIB | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL1917204 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL460499 | CARMOFUR | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL4303595 | — | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL508112 | BENZOTHIAZYL DISULFIDE | IC50 | = | 160.0 | nM | 6.80 |
| CHEMBL3348861 | AMPELOPSIN | IC50 | = | 180.0 | nM | 6.75 |
| CHEMBL105712 | PHENACYL CHLORIDE | IC50 | = | 190.0 | nM | 6.72 |
| CHEMBL1886408 | — | IC50 | = | 200.0 | nM | 6.70 |
| CHEMBL178459 | OLTIPRAZ | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL4303702 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL1449651 | PYRROLIDINE DITHIOCARBAMIC ACID, AMMONIUM SALT | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL964 | DISULFIRAM | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL164 | MYRICETIN | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL477197 | HEMATOXYLIN | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL1917204 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL1474701 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL1161936 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL3833381 | MERBROMIN | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL1374426 | — | IC50 | = | 290.0 | nM | 6.54 |
| CHEMBL508280 | — | IC50 | = | 300.0 | nM | 6.52 |
| CHEMBL4303312 | — | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL55400 | PROFLAVINE | IC50 | = | 360.0 | nM | 6.44 |
| CHEMBL480 | LANSOPRAZOLE | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL289356 | — | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL164 | MYRICETIN | IC50 | = | 400.0 | nM | 6.40 |
| CHEMBL4303622 | — | IC50 | = | 410.0 | nM | 6.39 |
| CHEMBL1408862 | BRONOPOL | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL4303361 | — | IC50 | = | 480.0 | nM | 6.32 |
| CHEMBL472940 | — | IC50 | = | 510.0 | nM | 6.29 |
| CHEMBL3187985 | APOMORPHINE HYDROCHLORIDE | IC50 | = | 520.0 | nM | 6.28 |
| CHEMBL3797437 | — | IC50 | = | 540.0 | nM | 6.27 |
| CHEMBL2107818 | ALDOXORUBICIN | IC50 | = | 580.0 | nM | 6.24 |
| CHEMBL596674 | — | IC50 | = | 580.0 | nM | 6.24 |