Assay Detail
Binding
CHEMBL5043044
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli using HiyteFluor-488ESATLQSGLRKAK-(QXL)-NH2 as substrate incubated for 30 min by FRET assay
38
Total Activities
38
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
Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL<sup>pro</sup>).
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 38 | 5.90 | 7.20 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5092107 | — | — | 1 | 7.20 |
| CHEMBL5087481 | — | — | 1 | 7.17 |
| CHEMBL5092270 | — | — | 1 | 6.97 |
| CHEMBL5087632 | — | — | 1 | 6.92 |
| CHEMBL5090994 | — | — | 1 | 6.77 |
| CHEMBL5087019 | — | — | 1 | 6.75 |
| CHEMBL5076577 | — | — | 1 | 6.71 |
| CHEMBL5075864 | — | — | 1 | 6.57 |
| CHEMBL5091251 | — | — | 1 | 6.51 |
| CHEMBL5081675 | — | — | 1 | 6.48 |
| CHEMBL5094026 | — | — | 1 | 6.48 |
| CHEMBL5075764 | — | — | 1 | 6.41 |
| CHEMBL5090306 | — | — | 1 | 6.36 |
| CHEMBL5085563 | — | — | 1 | 6.27 |
| CHEMBL5081793 | — | — | 1 | 6.13 |
| CHEMBL5077568 | — | — | 1 | 6.08 |
| CHEMBL5078759 | — | — | 1 | 6.04 |
| CHEMBL2442056 | — | — | 1 | 6.02 |
| CHEMBL5079247 | — | — | 1 | 5.94 |
| CHEMBL5077756 | — | — | 1 | 5.90 |
| CHEMBL5080577 | — | — | 1 | 5.85 |
| CHEMBL5092627 | — | — | 1 | 5.80 |
| CHEMBL5092180 | — | — | 1 | 5.79 |
| CHEMBL2442054 | — | — | 1 | 5.68 |
| CHEMBL5090723 | — | — | 1 | 5.60 |
| CHEMBL5070186 | — | — | 1 | 5.46 |
| CHEMBL5069704 | — | — | 1 | 5.33 |
| CHEMBL2442081 | — | — | 1 | 5.30 |
| CHEMBL2442055 | — | — | 1 | 5.29 |
| CHEMBL5080879 | — | — | 1 | 5.07 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5092107 | — | IC50 | = | 63.0 | nM | 7.20 |
| CHEMBL5087481 | — | IC50 | = | 68.0 | nM | 7.17 |
| CHEMBL5092270 | — | IC50 | = | 106.0 | nM | 6.97 |
| CHEMBL5087632 | — | IC50 | = | 119.0 | nM | 6.92 |
| CHEMBL5090994 | — | IC50 | = | 171.0 | nM | 6.77 |
| CHEMBL5087019 | — | IC50 | = | 176.0 | nM | 6.75 |
| CHEMBL5076577 | — | IC50 | = | 197.0 | nM | 6.71 |
| CHEMBL5075864 | — | IC50 | = | 270.0 | nM | 6.57 |
| CHEMBL5091251 | — | IC50 | = | 312.0 | nM | 6.51 |
| CHEMBL5081675 | — | IC50 | = | 333.0 | nM | 6.48 |
| CHEMBL5094026 | — | IC50 | = | 328.0 | nM | 6.48 |
| CHEMBL5075764 | — | IC50 | = | 390.0 | nM | 6.41 |
| CHEMBL5090306 | — | IC50 | = | 440.0 | nM | 6.36 |
| CHEMBL5085563 | — | IC50 | = | 540.0 | nM | 6.27 |
| CHEMBL5081793 | — | IC50 | = | 746.0 | nM | 6.13 |
| CHEMBL5077568 | — | IC50 | = | 830.0 | nM | 6.08 |
| CHEMBL5078759 | — | IC50 | = | 920.0 | nM | 6.04 |
| CHEMBL2442056 | — | IC50 | = | 950.0 | nM | 6.02 |
| CHEMBL5079247 | — | IC50 | = | 1160.0 | nM | 5.94 |
| CHEMBL5077756 | — | IC50 | = | 1270.0 | nM | 5.90 |
| CHEMBL5080577 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL5092627 | — | IC50 | = | 1590.0 | nM | 5.80 |
| CHEMBL5092180 | — | IC50 | = | 1610.0 | nM | 5.79 |
| CHEMBL2442054 | — | IC50 | = | 2090.0 | nM | 5.68 |
| CHEMBL5090723 | — | IC50 | = | 2510.0 | nM | 5.60 |
| CHEMBL5070186 | — | IC50 | = | 3440.0 | nM | 5.46 |
| CHEMBL5069704 | — | IC50 | = | 4620.0 | nM | 5.33 |
| CHEMBL2442081 | — | IC50 | = | 4990.0 | nM | 5.30 |
| CHEMBL2442055 | — | IC50 | = | 5070.0 | nM | 5.29 |
| CHEMBL5080879 | — | IC50 | = | 8530.0 | nM | 5.07 |
| CHEMBL5088867 | — | IC50 | = | 8770.0 | nM | 5.06 |
| CHEMBL5091889 | — | IC50 | = | 9550.0 | nM | 5.02 |
| CHEMBL5087978 | — | IC50 | = | 15940.0 | nM | 4.80 |
| CHEMBL5092984 | — | IC50 | = | 18870.0 | nM | 4.72 |
| CHEMBL5093242 | — | IC50 | = | 20390.0 | nM | 4.69 |
| CHEMBL5073234 | — | IC50 | = | 23000.0 | nM | 4.64 |
| CHEMBL2442057 | — | IC50 | = | 31180.0 | nM | 4.51 |
| CHEMBL5076341 | — | IC50 | > | 200000.0 | nM | - |