Assay Detail
Binding
CHEMBL5043119
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Inhibition of GST-tagged SARS-CoV-2 main protease expressed in Escherichia coli BL21 competent cells using DABCYL-Val-Asn-Ser-Thr-Leu-Gln-Ser-Gly-Leu-Arg-Lys-EDANS as substrate measured every 10 mins for 1 hr by FRET assay
30
Total Activities
30
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
Discovery and Mechanism of SARS-CoV-2 Main Protease Inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 30 | 5.75 | 6.48 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL51085 | EBSELEN | 3.0 | 1 | 6.48 |
| CHEMBL5076691 | — | — | 1 | 6.42 |
| CHEMBL5093994 | — | — | 1 | 6.21 |
| CHEMBL5071765 | — | — | 1 | 6.19 |
| CHEMBL5089153 | — | — | 1 | 6.17 |
| CHEMBL5078831 | — | — | 1 | 6.05 |
| CHEMBL5084065 | — | — | 1 | 6.00 |
| CHEMBL3913676 | — | — | 1 | 5.90 |
| CHEMBL5087429 | — | — | 1 | 5.75 |
| CHEMBL5077179 | — | — | 1 | 5.68 |
| CHEMBL3894673 | — | — | 1 | 5.64 |
| CHEMBL5085736 | — | — | 1 | 5.57 |
| CHEMBL3964347 | — | — | 1 | 5.56 |
| CHEMBL5092396 | — | — | 1 | 5.56 |
| CHEMBL5088374 | — | — | 1 | 5.56 |
| CHEMBL5085970 | — | — | 1 | 5.48 |
| CHEMBL5087111 | — | — | 1 | 5.25 |
| CHEMBL5084537 | — | — | 1 | 5.21 |
| CHEMBL5077193 | — | — | 1 | 5.19 |
| CHEMBL5094204 | — | — | 1 | 5.13 |
| CHEMBL3892953 | — | — | 1 | - |
| CHEMBL5090443 | — | — | 1 | - |
| CHEMBL4777947 | — | — | 1 | - |
| CHEMBL5087316 | — | — | 1 | - |
| CHEMBL5074612 | — | — | 1 | - |
| CHEMBL5085860 | — | — | 1 | - |
| CHEMBL5074774 | — | — | 1 | - |
| CHEMBL5086326 | — | — | 1 | - |
| CHEMBL5069946 | — | — | 1 | - |
| CHEMBL5084837 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL51085 | EBSELEN | IC50 | = | 330.0 | nM | 6.48 |
| CHEMBL5076691 | — | IC50 | = | 380.0 | nM | 6.42 |
| CHEMBL5093994 | — | IC50 | = | 610.0 | nM | 6.21 |
| CHEMBL5071765 | — | IC50 | = | 640.0 | nM | 6.19 |
| CHEMBL5089153 | — | IC50 | = | 680.0 | nM | 6.17 |
| CHEMBL5078831 | — | IC50 | = | 900.0 | nM | 6.05 |
| CHEMBL5084065 | — | IC50 | = | 1000.0 | nM | 6.00 |
| CHEMBL3913676 | — | IC50 | = | 1250.0 | nM | 5.90 |
| CHEMBL5087429 | — | IC50 | = | 1800.0 | nM | 5.75 |
| CHEMBL5077179 | — | IC50 | = | 2090.0 | nM | 5.68 |
| CHEMBL3894673 | — | IC50 | = | 2290.0 | nM | 5.64 |
| CHEMBL5085736 | — | IC50 | = | 2690.0 | nM | 5.57 |
| CHEMBL3964347 | — | IC50 | = | 2780.0 | nM | 5.56 |
| CHEMBL5092396 | — | IC50 | = | 2770.0 | nM | 5.56 |
| CHEMBL5088374 | — | IC50 | = | 2770.0 | nM | 5.56 |
| CHEMBL5085970 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL5087111 | — | IC50 | = | 5560.0 | nM | 5.25 |
| CHEMBL5084537 | — | IC50 | = | 6180.0 | nM | 5.21 |
| CHEMBL5077193 | — | IC50 | = | 6400.0 | nM | 5.19 |
| CHEMBL5094204 | — | IC50 | = | 7430.0 | nM | 5.13 |
| CHEMBL3892953 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5090443 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4777947 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5087316 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5074612 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5085860 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5074774 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5086326 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5069946 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL5084837 | — | IC50 | > | 10000.0 | nM | - |