Assay Detail
Binding
CHEMBL5044546
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Inhibition of SARS-CoV-2 3CL protease using DABCYL-KTSAVLQ-SGFRKME-EDANS as substrate preincubated with enzyme for 30 mins followed by substrate addition and measured after 1 hr by fluorescence spectrophotometry
66
Total Activities
66
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
Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL<sup>pro</sup> covalent inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 66 | 5.78 | 6.96 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3559293 | — | — | 1 | 6.96 |
| CHEMBL5093164 | — | — | 1 | 6.77 |
| CHEMBL5086367 | — | — | 1 | 6.66 |
| CHEMBL5082129 | — | — | 1 | 6.62 |
| CHEMBL5077272 | — | — | 1 | 6.55 |
| CHEMBL5076912 | — | — | 1 | 6.50 |
| CHEMBL5086236 | — | — | 1 | 6.42 |
| CHEMBL5075842 | — | — | 1 | 6.39 |
| CHEMBL5076981 | — | — | 1 | 6.38 |
| CHEMBL5069886 | — | — | 1 | 6.28 |
| CHEMBL5077845 | — | — | 1 | 6.08 |
| CHEMBL5093774 | — | — | 1 | 6.07 |
| CHEMBL5088803 | — | — | 1 | 6.04 |
| CHEMBL5092541 | — | — | 1 | 6.01 |
| CHEMBL2311694 | — | — | 1 | 5.85 |
| CHEMBL5089978 | — | — | 1 | 5.39 |
| CHEMBL5090002 | — | — | 1 | 5.30 |
| CHEMBL5081400 | — | — | 1 | 5.28 |
| CHEMBL5078075 | — | — | 1 | 5.28 |
| CHEMBL5080682 | — | — | 1 | 5.22 |
| CHEMBL5086814 | — | — | 1 | 5.16 |
| CHEMBL5080388 | — | — | 1 | 5.01 |
| CHEMBL5089324 | — | — | 1 | 4.91 |
| CHEMBL5078073 | — | — | 1 | 4.82 |
| CHEMBL5083985 | — | — | 1 | 4.35 |
| CHEMBL5075329 | — | — | 1 | 4.08 |
| CHEMBL5082171 | — | — | 1 | - |
| CHEMBL5086385 | — | — | 1 | - |
| CHEMBL5080265 | — | — | 1 | - |
| CHEMBL5081595 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3559293 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL5093164 | — | IC50 | = | 170.0 | nM | 6.77 |
| CHEMBL5086367 | — | IC50 | = | 220.0 | nM | 6.66 |
| CHEMBL5082129 | — | IC50 | = | 240.0 | nM | 6.62 |
| CHEMBL5077272 | — | IC50 | = | 280.0 | nM | 6.55 |
| CHEMBL5076912 | — | IC50 | = | 320.0 | nM | 6.50 |
| CHEMBL5086236 | — | IC50 | = | 380.0 | nM | 6.42 |
| CHEMBL5075842 | — | IC50 | = | 410.0 | nM | 6.39 |
| CHEMBL5076981 | — | IC50 | = | 420.0 | nM | 6.38 |
| CHEMBL5069886 | — | IC50 | = | 520.0 | nM | 6.28 |
| CHEMBL5077845 | — | IC50 | = | 840.0 | nM | 6.08 |
| CHEMBL5093774 | — | IC50 | = | 850.0 | nM | 6.07 |
| CHEMBL5088803 | — | IC50 | = | 920.0 | nM | 6.04 |
| CHEMBL5092541 | — | IC50 | = | 980.0 | nM | 6.01 |
| CHEMBL2311694 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL5089978 | — | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL5090002 | — | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL5081400 | — | IC50 | = | 5200.0 | nM | 5.28 |
| CHEMBL5078075 | — | IC50 | = | 5300.0 | nM | 5.28 |
| CHEMBL5080682 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL5086814 | — | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL5080388 | — | IC50 | = | 9700.0 | nM | 5.01 |
| CHEMBL5089324 | — | IC50 | = | 12400.0 | nM | 4.91 |
| CHEMBL5078073 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL5083985 | — | IC50 | = | 45100.0 | nM | 4.35 |
| CHEMBL5075329 | — | IC50 | = | 84000.0 | nM | 4.08 |
| CHEMBL5073108 | — | IC50 | - | — | - | |
| CHEMBL5078108 | — | IC50 | - | — | - | |
| CHEMBL5092212 | — | IC50 | - | — | - | |
| CHEMBL5093547 | — | IC50 | - | — | - | |
| CHEMBL5087998 | — | IC50 | - | — | - | |
| CHEMBL5086792 | — | IC50 | - | — | - | |
| CHEMBL5094576 | — | IC50 | - | — | - | |
| CHEMBL5080592 | — | IC50 | - | — | - | |
| CHEMBL5092189 | — | IC50 | - | — | - | |
| CHEMBL5093680 | — | IC50 | - | — | - | |
| CHEMBL5079904 | — | IC50 | - | — | - | |
| CHEMBL5091350 | — | IC50 | - | — | - | |
| CHEMBL5082171 | — | IC50 | - | — | - | |
| CHEMBL5090726 | — | IC50 | - | — | - | |
| CHEMBL5071782 | — | IC50 | - | — | - | |
| CHEMBL5076840 | — | IC50 | - | — | - | |
| CHEMBL5080800 | — | IC50 | - | — | - | |
| CHEMBL5092108 | — | IC50 | - | — | - | |
| CHEMBL5091834 | — | IC50 | - | — | - | |
| CHEMBL5075122 | — | IC50 | - | — | - | |
| CHEMBL5088655 | — | IC50 | - | — | - | |
| CHEMBL5081595 | — | IC50 | - | — | - | |
| CHEMBL5080265 | — | IC50 | - | — | - | |
| CHEMBL5086385 | — | IC50 | - | — | - |