Assay Detail
Functional
CHEMBL4495584
Review assay metadata, readout intent, target linkage, and publication context from the same page.
MERS_3CL Pro protease inhibition IC50 by FRET kind of response from peptide substrate
84
Total Activities
80
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Functional |
| Organism | Middle East respiratory syndrome-related coronavirus |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Replicase polyprotein 1ab (CHEMBL4295557) ↗| Type | SINGLE PROTEIN |
| Organism | Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC) |
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 | 84 | 5.14 | 5.64 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4303622 | — | — | 1 | 5.64 |
| CHEMBL1908397 | KW-2449 | 1.0 | 1 | 5.44 |
| CHEMBL508280 | — | — | 1 | 5.42 |
| CHEMBL5315124 | LEVOFLOXACIN | 4.0 | 1 | 5.12 |
| CHEMBL406050 | PX-12 | 2.0 | 1 | 5.12 |
| CHEMBL596674 | — | — | 1 | 5.09 |
| CHEMBL5219995 | ACRIFLAVINE HYDROCHLORIDE | 2.0 | 1 | 5.00 |
| CHEMBL1697725 | AUROTHIOGLUCOSE | -1.0 | 1 | 5.00 |
| CHEMBL271023 | — | — | 1 | 5.00 |
| CHEMBL964 | DISULFIRAM | 4.0 | 1 | 4.57 |
| CHEMBL472940 | — | — | 1 | - |
| CHEMBL571700 | BIS(DIMETHYLAMINETHIOCARBONYL)MONOSULFIDE | — | 1 | - |
| CHEMBL929 | DELAVIRDINE MESYLATE | 4.0 | 1 | - |
| CHEMBL1408862 | BRONOPOL | 2.0 | 1 | - |
| CHEMBL4303664 | — | — | 1 | - |
| CHEMBL1474701 | — | — | 1 | - |
| CHEMBL1188627 | — | — | 1 | - |
| CHEMBL477197 | HEMATOXYLIN | — | 1 | - |
| CHEMBL508338 | THIMEROSAL | 3.0 | 1 | - |
| CHEMBL69863 | PICEATANNOL | — | 1 | - |
| CHEMBL111654 | 2-MERCAPTOBENZOTHIAZOLE | — | 1 | - |
| CHEMBL518800 | — | — | 1 | - |
| CHEMBL1382627 | SULFADIAZINE, SILVER | 4.0 | 1 | - |
| CHEMBL164 | MYRICETIN | — | 1 | - |
| CHEMBL270299 | BAY-11-7085 | — | 1 | - |
| CHEMBL4303312 | — | — | 1 | - |
| CHEMBL128251 | IOCANLIDIC ACID | 2.0 | 1 | - |
| CHEMBL4303361 | — | — | 1 | - |
| CHEMBL154580 | — | — | 1 | - |
| CHEMBL1374426 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4303622 | — | IC50 | = | 2300.0 | nM | 5.64 |
| CHEMBL1908397 | KW-2449 | IC50 | = | 3600.0 | nM | 5.44 |
| CHEMBL508280 | — | IC50 | = | 3800.0 | nM | 5.42 |
| CHEMBL5315124 | LEVOFLOXACIN | IC50 | = | 7600.0 | nM | 5.12 |
| CHEMBL406050 | PX-12 | IC50 | = | 7600.0 | nM | 5.12 |
| CHEMBL596674 | — | IC50 | = | 8100.0 | nM | 5.09 |
| CHEMBL5219995 | ACRIFLAVINE HYDROCHLORIDE | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL1697725 | AUROTHIOGLUCOSE | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL271023 | — | IC50 | = | 10100.0 | nM | 5.00 |
| CHEMBL964 | DISULFIRAM | IC50 | = | 26800.0 | nM | 4.57 |
| CHEMBL1333953 | PHENYLMERCURIC ACETATE | IC50 | > | 10000.0 | nM | - |
| CHEMBL3187985 | APOMORPHINE HYDROCHLORIDE | IC50 | > | 10000.0 | nM | - |
| CHEMBL1591074 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1271993 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1449651 | PYRROLIDINE DITHIOCARBAMIC ACID, AMMONIUM SALT | IC50 | > | 10000.0 | nM | - |
| CHEMBL3545157 | TIDEGLUSIB | IC50 | > | 10000.0 | nM | - |
| CHEMBL178459 | OLTIPRAZ | IC50 | > | 10000.0 | nM | - |
| CHEMBL1201073 | SUCCIMER | IC50 | > | 10000.0 | nM | - |
| CHEMBL1255778 | BENSERAZIDE HYDROCHLORIDE | IC50 | > | 10000.0 | nM | - |
| CHEMBL69863 | PICEATANNOL | IC50 | > | 10000.0 | nM | - |
| CHEMBL2354521 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL8260 | BAICALEIN | IC50 | > | 10000.0 | nM | - |
| CHEMBL2107818 | ALDOXORUBICIN | IC50 | > | 10000.0 | nM | - |
| CHEMBL465704 | PROFLAVINE HEMISULFATE | IC50 | > | 10000.0 | nM | - |
| CHEMBL490129 | SANGUINARIUM CHLORIDE | IC50 | > | 10000.0 | nM | - |
| CHEMBL329522 | EXIFONE | IC50 | > | 10000.0 | nM | - |
| CHEMBL313154 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL52 | NORDIHYDROGUAIARETIC ACID | IC50 | > | 10000.0 | nM | - |
| CHEMBL388676 | CAPTAN | IC50 | > | 10000.0 | nM | - |
| CHEMBL1201236 | CARBIDOPA ANHYDROUS | IC50 | > | 10000.0 | nM | - |
| CHEMBL164 | MYRICETIN | IC50 | > | 10000.0 | nM | - |
| CHEMBL9116 | CARACEMIDE | IC50 | > | 10000.0 | nM | - |
| CHEMBL929 | DELAVIRDINE MESYLATE | IC50 | > | 10000.0 | nM | - |
| CHEMBL508338 | THIMEROSAL | IC50 | > | 10000.0 | nM | - |
| CHEMBL297453 | EPIGALOCATECHIN GALLATE | IC50 | > | 10000.0 | nM | - |
| CHEMBL111654 | 2-MERCAPTOBENZOTHIAZOLE | IC50 | > | 10000.0 | nM | - |
| CHEMBL4303361 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL128251 | IOCANLIDIC ACID | IC50 | > | 10000.0 | nM | - |
| CHEMBL4303312 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL270299 | BAY-11-7085 | IC50 | > | 10000.0 | nM | - |
| CHEMBL154580 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL518800 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1374426 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL472940 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL571700 | BIS(DIMETHYLAMINETHIOCARBONYL)MONOSULFIDE | IC50 | > | 10000.0 | nM | - |
| CHEMBL4303595 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL510038 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL477197 | HEMATOXYLIN | IC50 | > | 10000.0 | nM | - |
| CHEMBL4303664 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL1382627 | SULFADIAZINE, SILVER | IC50 | > | 10000.0 | nM | - |