Assay Detail
Binding
CHEMBL4198706
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of SARS coronavirus 3CL protease using Dabcyl-KTSAVLQ/SGFRKME-Edans as substrate incubated for 30 mins followed by substrate addition measured after 1 hr by FRET assay
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Severe acute respiratory syndrome-related coronavirus |
| Confidence | 9 — Direct single protein target |
| Curated By | Intermediate |
Target
Replicase polyprotein 1ab (CHEMBL5118) ↗| Type | SINGLE PROTEIN |
| Organism | Severe acute respiratory syndrome-related coronavirus |
Publication
Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 12 | 5.20 | 5.68 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4214066 | — | — | 1 | 5.68 |
| CHEMBL4217568 | — | — | 1 | 5.50 |
| CHEMBL4214471 | — | — | 1 | 5.41 |
| CHEMBL4216101 | — | — | 1 | 5.39 |
| CHEMBL4208764 | — | — | 1 | 5.37 |
| CHEMBL4208240 | — | — | 1 | 5.29 |
| CHEMBL4202812 | — | — | 1 | 5.28 |
| CHEMBL4212620 | — | — | 1 | 5.26 |
| CHEMBL4203883 | — | — | 1 | 5.20 |
| CHEMBL4204431 | — | — | 1 | 5.06 |
| CHEMBL4209146 | — | — | 1 | 4.54 |
| CHEMBL4213159 | — | — | 1 | 4.38 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4214066 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL4217568 | — | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL4214471 | — | IC50 | = | 3900.0 | nM | 5.41 |
| CHEMBL4216101 | — | IC50 | = | 4100.0 | nM | 5.39 |
| CHEMBL4208764 | — | IC50 | = | 4300.0 | nM | 5.37 |
| CHEMBL4208240 | — | IC50 | = | 5100.0 | nM | 5.29 |
| CHEMBL4202812 | — | IC50 | = | 5200.0 | nM | 5.28 |
| CHEMBL4212620 | — | IC50 | = | 5500.0 | nM | 5.26 |
| CHEMBL4203883 | — | IC50 | = | 6300.0 | nM | 5.20 |
| CHEMBL4204431 | — | IC50 | = | 8800.0 | nM | 5.06 |
| CHEMBL4209146 | — | IC50 | = | 28800.0 | nM | 4.54 |
| CHEMBL4213159 | — | IC50 | = | 42100.0 | nM | 4.38 |