Assay Detail
Binding
CHEMBL972556
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Inhibition of recombinant full length HCV NS3/4A protease
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Hepatitis C virus |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Structure-activity relationship study on a novel series of cyclopentane-containing macrocyclic inhibitors of the hepatitis C virus NS3/4A protease leading to the discovery of TMC435350.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 11 | 9.20 | 10.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL502719 | — | — | 1 | 10.00 |
| CHEMBL499299 | — | — | 1 | 9.80 |
| CHEMBL507228 | — | — | 1 | 9.70 |
| CHEMBL507892 | — | — | 1 | 9.52 |
| CHEMBL501849 | SIMEPREVIR | 4.0 | 1 | 9.44 |
| CHEMBL442986 | — | — | 1 | 9.39 |
| CHEMBL500771 | — | — | 1 | 9.26 |
| CHEMBL501625 | — | — | 1 | 9.08 |
| CHEMBL525983 | — | — | 1 | 8.85 |
| CHEMBL507066 | — | — | 1 | 8.51 |
| CHEMBL228198 | — | — | 1 | 7.66 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL502719 | — | Ki | = | 0.1 | nM | 10.00 |
| CHEMBL499299 | — | Ki | = | 0.16 | nM | 9.80 |
| CHEMBL507228 | — | Ki | = | 0.2 | nM | 9.70 |
| CHEMBL507892 | — | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL501849 | SIMEPREVIR | Ki | = | 0.36 | nM | 9.44 |
| CHEMBL442986 | — | Ki | = | 0.41 | nM | 9.39 |
| CHEMBL500771 | — | Ki | = | 0.55 | nM | 9.26 |
| CHEMBL501625 | — | Ki | = | 0.84 | nM | 9.08 |
| CHEMBL525983 | — | Ki | = | 1.4 | nM | 8.85 |
| CHEMBL507066 | — | Ki | = | 3.1 | nM | 8.51 |
| CHEMBL228198 | — | Ki | = | 22.0 | nM | 7.66 |