Assay Detail
Binding
CHEMBL3384808
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Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay
33
Total Activities
30
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Hepatitis C virus subtype 1a |
| Confidence | 6 — Multiple protein complex / RNA |
| Curated By | Autocuration |
Target
Hepatitis C virus serine protease, NS3/NS4A (CHEMBL2095231) ↗| Type | PROTEIN COMPLEX |
| Organism | Hepatitis C virus |
Publication
Vinylated linear P2 pyrimidinyloxyphenylglycine based inhibitors of the HCV NS3/4A protease and corresponding macrocycles.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 33 | 7.02 | 10.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4525964 | VANIPREVIR | 3.0 | 1 | 10.30 |
| CHEMBL297884 | CILUPREVIR | 2.0 | 1 | 9.52 |
| CHEMBL501849 | SIMEPREVIR | 4.0 | 1 | 9.44 |
| CHEMBL1241348 | FALDAPREVIR | 3.0 | 1 | 8.92 |
| CHEMBL218394 | BOCEPREVIR | 4.0 | 1 | 7.85 |
| CHEMBL3125046 | — | — | 1 | 7.58 |
| CHEMBL3125047 | — | — | 1 | 7.48 |
| CHEMBL3356701 | — | — | 1 | 7.40 |
| CHEMBL1170408 | — | — | 1 | 7.20 |
| CHEMBL3356714 | — | — | 2 | 7.10 |
| CHEMBL3356708 | — | — | 1 | 7.02 |
| CHEMBL3356706 | — | — | 1 | 6.96 |
| CHEMBL3356716 | — | — | 2 | 6.96 |
| CHEMBL3356717 | — | — | 1 | 6.89 |
| CHEMBL3125171 | — | — | 1 | 6.72 |
| CHEMBL3356703 | — | — | 1 | 6.66 |
| CHEMBL3356715 | — | — | 1 | 6.66 |
| CHEMBL3356707 | — | — | 1 | 6.64 |
| CHEMBL1170421 | — | — | 1 | 6.52 |
| CHEMBL3356702 | — | — | 1 | 6.51 |
| CHEMBL3356705 | — | — | 1 | 6.43 |
| CHEMBL3356718 | — | — | 1 | 6.41 |
| CHEMBL3356709 | — | — | 2 | 6.38 |
| CHEMBL3356704 | — | — | 1 | 6.22 |
| CHEMBL3356713 | — | — | 1 | 6.20 |
| CHEMBL3356711 | — | — | 1 | 6.18 |
| CHEMBL259478 | — | — | 1 | 6.08 |
| CHEMBL3356712 | — | — | 1 | 5.89 |
| CHEMBL3356719 | — | — | 1 | 5.80 |
| CHEMBL3356710 | — | — | 1 | 5.62 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4525964 | VANIPREVIR | Ki | = | 0.05 | nM | 10.30 |
| CHEMBL297884 | CILUPREVIR | Ki | = | 0.3 | nM | 9.52 |
| CHEMBL501849 | SIMEPREVIR | Ki | = | 0.36 | nM | 9.44 |
| CHEMBL1241348 | FALDAPREVIR | Ki | = | 1.2 | nM | 8.92 |
| CHEMBL218394 | BOCEPREVIR | Ki | = | 14.0 | nM | 7.85 |
| CHEMBL3125046 | — | Ki | = | 26.0 | nM | 7.58 |
| CHEMBL3125047 | — | Ki | = | 33.0 | nM | 7.48 |
| CHEMBL3356701 | — | Ki | = | 40.0 | nM | 7.40 |
| CHEMBL1170408 | — | Ki | = | 63.0 | nM | 7.20 |
| CHEMBL3356714 | — | Ki | = | 80.0 | nM | 7.10 |
| CHEMBL3356708 | — | Ki | = | 95.0 | nM | 7.02 |
| CHEMBL3356716 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL3356716 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL3356714 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL3356706 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL3356717 | — | Ki | = | 130.0 | nM | 6.89 |
| CHEMBL3125171 | — | Ki | = | 190.0 | nM | 6.72 |
| CHEMBL3356715 | — | Ki | = | 220.0 | nM | 6.66 |
| CHEMBL3356703 | — | Ki | = | 220.0 | nM | 6.66 |
| CHEMBL3356707 | — | Ki | = | 230.0 | nM | 6.64 |
| CHEMBL1170421 | — | Ki | = | 300.0 | nM | 6.52 |
| CHEMBL3356702 | — | Ki | = | 310.0 | nM | 6.51 |
| CHEMBL3356705 | — | Ki | = | 370.0 | nM | 6.43 |
| CHEMBL3356718 | — | Ki | = | 390.0 | nM | 6.41 |
| CHEMBL3356709 | — | Ki | = | 420.0 | nM | 6.38 |
| CHEMBL3356709 | — | Ki | = | 530.0 | nM | 6.28 |
| CHEMBL3356704 | — | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL3356713 | — | Ki | = | 630.0 | nM | 6.20 |
| CHEMBL3356711 | — | Ki | = | 660.0 | nM | 6.18 |
| CHEMBL259478 | — | Ki | = | 830.0 | nM | 6.08 |
| CHEMBL3356712 | — | Ki | = | 1300.0 | nM | 5.89 |
| CHEMBL3356719 | — | Ki | = | 1570.0 | nM | 5.80 |
| CHEMBL3356710 | — | Ki | = | 2400.0 | nM | 5.62 |