Assay Detail
Binding
CHEMBL4672895
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Inhibition of recombinant His6-tagged SARS-CoV-2 main protease using Dabcyl-KTSAVLQ-SGFRKM-E(Edans-NH2) as substrate preincubated for 15 mins followed by substrate addition by FRET based assay
17
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Severe acute respiratory syndrome coronavirus 2 |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 17 | 4.75 | 5.32 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1085699 | MANIDIPINE 6300 | 3.0 | 1 | 5.32 |
| CHEMBL218394 | BOCEPREVIR | 4.0 | 1 | 5.27 |
| CHEMBL250270 | LERCANIDIPINE | 3.0 | 1 | 4.79 |
| CHEMBL376488 | BEDAQUILINE | 4.0 | 1 | 4.73 |
| CHEMBL639 | AZELASTINE | 4.0 | 1 | 4.70 |
| CHEMBL2074922 | EFONIDIPINE | 2.0 | 1 | 4.42 |
| CHEMBL1214124 | PERAMPANEL | 4.0 | 1 | 4.00 |
| CHEMBL1201087 | CABERGOLINE | 4.0 | 1 | - |
| CHEMBL2106889 | PIROXICAM CINNAMATE | -1.0 | 1 | - |
| CHEMBL1292 | CLOFAZIMINE | 4.0 | 1 | - |
| CHEMBL1117 | IDARUBICIN | 4.0 | 1 | - |
| CHEMBL5483011 | INDINAVIR | 3.0 | 1 | - |
| CHEMBL554 | LAPATINIB | 4.0 | 1 | - |
| CHEMBL584 | NELFINAVIR | 4.0 | 1 | - |
| CHEMBL251940 | PERICIAZINE | 2.0 | 1 | - |
| CHEMBL1619785 | TALAMPICILLIN | 2.0 | 1 | - |
| CHEMBL222559 | TIPRANAVIR | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1085699 | MANIDIPINE 6300 | IC50 | = | 4810.0 | nM | 5.32 |
| CHEMBL218394 | BOCEPREVIR | IC50 | = | 5400.0 | nM | 5.27 |
| CHEMBL250270 | LERCANIDIPINE | IC50 | = | 16200.0 | nM | 4.79 |
| CHEMBL376488 | BEDAQUILINE | IC50 | = | 18700.0 | nM | 4.73 |
| CHEMBL639 | AZELASTINE | IC50 | = | 20000.0 | nM | 4.70 |
| CHEMBL2074922 | EFONIDIPINE | IC50 | = | 38500.0 | nM | 4.42 |
| CHEMBL1214124 | PERAMPANEL | IC50 | = | 100000.0 | nM | 4.00 |
| CHEMBL1201087 | CABERGOLINE | IC50 | - | — | - | |
| CHEMBL2106889 | PIROXICAM CINNAMATE | IC50 | > | 600000.0 | nM | - |
| CHEMBL1292 | CLOFAZIMINE | IC50 | > | 600000.0 | nM | - |
| CHEMBL1117 | IDARUBICIN | IC50 | = | 250000.0 | nM | - |
| CHEMBL5483011 | INDINAVIR | IC50 | - | — | - | |
| CHEMBL554 | LAPATINIB | IC50 | - | — | - | |
| CHEMBL584 | NELFINAVIR | IC50 | = | 250000.0 | nM | - |
| CHEMBL251940 | PERICIAZINE | IC50 | = | 250000.0 | nM | - |
| CHEMBL1619785 | TALAMPICILLIN | IC50 | = | 250000.0 | nM | - |
| CHEMBL222559 | TIPRANAVIR | IC50 | > | 600000.0 | nM | - |