Assay Detail
Binding
CHEMBL1109899
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Inhibition of HCV NS4A tagged recombinant single chain NS3 protease after 15 mins
43
Total Activities
43
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
The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 43 | 7.80 | 8.70 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1093977 | — | — | 1 | 8.70 |
| CHEMBL1093632 | — | — | 1 | 8.52 |
| CHEMBL1093982 | — | — | 1 | 8.52 |
| CHEMBL1093978 | — | — | 1 | 8.40 |
| CHEMBL1093975 | — | — | 1 | 8.40 |
| CHEMBL1093980 | — | — | 1 | 8.30 |
| CHEMBL1093976 | — | — | 1 | 8.30 |
| CHEMBL1093973 | — | — | 1 | 8.22 |
| CHEMBL1093647 | — | — | 1 | 8.15 |
| CHEMBL1093015 | — | — | 1 | 8.10 |
| CHEMBL1093643 | — | — | 1 | 8.05 |
| CHEMBL1093641 | — | — | 1 | 8.05 |
| CHEMBL1093971 | — | — | 1 | 8.05 |
| CHEMBL1088786 | — | — | 1 | 8.00 |
| CHEMBL1093972 | — | — | 1 | 8.00 |
| CHEMBL1093644 | — | — | 1 | 8.00 |
| CHEMBL1093974 | — | — | 1 | 8.00 |
| CHEMBL1093646 | — | — | 1 | 7.96 |
| CHEMBL1093645 | — | — | 1 | 7.96 |
| CHEMBL1093979 | — | — | 1 | 7.96 |
| CHEMBL1093637 | — | — | 1 | 7.96 |
| CHEMBL1093635 | — | — | 1 | 7.96 |
| CHEMBL1093631 | — | — | 1 | 7.92 |
| CHEMBL1093981 | — | — | 1 | 7.92 |
| CHEMBL218394 | BOCEPREVIR | 4.0 | 1 | 7.85 |
| CHEMBL1092858 | — | — | 1 | 7.82 |
| CHEMBL1093311 | — | — | 1 | 7.82 |
| CHEMBL526753 | — | — | 1 | 7.80 |
| CHEMBL1093640 | — | — | 1 | 7.72 |
| CHEMBL1093636 | — | — | 1 | 7.70 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1093977 | — | Ki | = | 2.0 | nM | 8.70 |
| CHEMBL1093632 | — | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL1093982 | — | Ki | = | 3.0 | nM | 8.52 |
| CHEMBL1093978 | — | Ki | = | 4.0 | nM | 8.40 |
| CHEMBL1093975 | — | Ki | = | 4.0 | nM | 8.40 |
| CHEMBL1093980 | — | Ki | = | 5.0 | nM | 8.30 |
| CHEMBL1093976 | — | Ki | = | 5.0 | nM | 8.30 |
| CHEMBL1093973 | — | Ki | = | 6.0 | nM | 8.22 |
| CHEMBL1093647 | — | Ki | = | 7.0 | nM | 8.15 |
| CHEMBL1093015 | — | Ki | = | 8.0 | nM | 8.10 |
| CHEMBL1093643 | — | Ki | = | 9.0 | nM | 8.05 |
| CHEMBL1093641 | — | Ki | = | 9.0 | nM | 8.05 |
| CHEMBL1093971 | — | Ki | = | 9.0 | nM | 8.05 |
| CHEMBL1093974 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL1093644 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL1088786 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL1093972 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL1093635 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL1093637 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL1093645 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL1093646 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL1093979 | — | Ki | = | 11.0 | nM | 7.96 |
| CHEMBL1093631 | — | Ki | = | 12.0 | nM | 7.92 |
| CHEMBL1093981 | — | Ki | = | 12.0 | nM | 7.92 |
| CHEMBL218394 | BOCEPREVIR | Ki | = | 14.0 | nM | 7.85 |
| CHEMBL1092858 | — | Ki | = | 15.0 | nM | 7.82 |
| CHEMBL1093311 | — | Ki | = | 15.0 | nM | 7.82 |
| CHEMBL526753 | — | Ki | = | 16.0 | nM | 7.80 |
| CHEMBL1093640 | — | Ki | = | 19.0 | nM | 7.72 |
| CHEMBL1093636 | — | Ki | = | 20.0 | nM | 7.70 |
| CHEMBL1093633 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL1093420 | — | Ki | = | 24.0 | nM | 7.62 |
| CHEMBL1093648 | — | Ki | = | 25.0 | nM | 7.60 |
| CHEMBL1093642 | — | Ki | = | 30.0 | nM | 7.52 |
| CHEMBL1093970 | — | Ki | = | 39.0 | nM | 7.41 |
| CHEMBL1093638 | — | Ki | = | 44.0 | nM | 7.36 |
| CHEMBL1093630 | — | Ki | = | 47.0 | nM | 7.33 |
| CHEMBL1093634 | — | Ki | = | 78.0 | nM | 7.11 |
| CHEMBL502871 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL1091546 | — | Ki | = | 100.0 | nM | 7.00 |
| CHEMBL1088824 | — | Ki | = | 140.0 | nM | 6.85 |
| CHEMBL1093983 | — | Ki | = | 280.0 | nM | 6.55 |
| CHEMBL1093639 | — | Ki | = | 300.0 | nM | 6.52 |