Assay Detail
Binding
CHEMBL768118
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Ability to inhibit HIV protease purified and refolded from Escherichia coli inclusion bodies
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Target
Human immunodeficiency virus type 1 protease (CHEMBL243) ↗| Type | SINGLE PROTEIN |
| Organism | Human immunodeficiency virus 1 |
Publication
Structure-based design of novel HIV protease inhibitors: carboxamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent nonpeptidic inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 20 | 6.76 | 8.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL120225 | — | — | 1 | 8.40 |
| CHEMBL122768 | — | — | 1 | 7.82 |
| CHEMBL331595 | — | — | 1 | 7.72 |
| CHEMBL80529 | — | — | 1 | 7.55 |
| CHEMBL331229 | — | — | 1 | 7.39 |
| CHEMBL119970 | — | — | 1 | 7.36 |
| CHEMBL121000 | — | — | 1 | 7.07 |
| CHEMBL420883 | — | — | 1 | 6.96 |
| CHEMBL120818 | — | — | 1 | 6.80 |
| CHEMBL121678 | — | — | 1 | 6.77 |
| CHEMBL120902 | — | — | 1 | 6.77 |
| CHEMBL120832 | — | — | 1 | 6.77 |
| CHEMBL119547 | — | — | 1 | 6.55 |
| CHEMBL331618 | — | — | 1 | 6.46 |
| CHEMBL120295 | — | — | 1 | 6.40 |
| CHEMBL121394 | — | — | 1 | 6.25 |
| CHEMBL414237 | — | — | 1 | 5.80 |
| CHEMBL121112 | — | — | 1 | 5.47 |
| CHEMBL333197 | — | — | 1 | 5.44 |
| CHEMBL120430 | — | — | 1 | 5.36 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL120225 | — | Ki | = | 4.0 | nM | 8.40 |
| CHEMBL122768 | — | Ki | = | 15.0 | nM | 7.82 |
| CHEMBL331595 | — | Ki | = | 19.0 | nM | 7.72 |
| CHEMBL80529 | — | Ki | = | 28.0 | nM | 7.55 |
| CHEMBL331229 | — | Ki | = | 41.0 | nM | 7.39 |
| CHEMBL119970 | — | Ki | = | 44.0 | nM | 7.36 |
| CHEMBL121000 | — | Ki | = | 86.0 | nM | 7.07 |
| CHEMBL420883 | — | Ki | = | 110.0 | nM | 6.96 |
| CHEMBL120818 | — | Ki | = | 160.0 | nM | 6.80 |
| CHEMBL121678 | — | Ki | = | 170.0 | nM | 6.77 |
| CHEMBL120902 | — | Ki | = | 170.0 | nM | 6.77 |
| CHEMBL120832 | — | Ki | = | 170.0 | nM | 6.77 |
| CHEMBL119547 | — | Ki | = | 280.0 | nM | 6.55 |
| CHEMBL331618 | — | Ki | = | 350.0 | nM | 6.46 |
| CHEMBL120295 | — | Ki | = | 400.0 | nM | 6.40 |
| CHEMBL121394 | — | Ki | = | 560.0 | nM | 6.25 |
| CHEMBL414237 | — | Ki | = | 1600.0 | nM | 5.80 |
| CHEMBL121112 | — | Ki | = | 3400.0 | nM | 5.47 |
| CHEMBL333197 | — | Ki | = | 3600.0 | nM | 5.44 |
| CHEMBL120430 | — | Ki | = | 4400.0 | nM | 5.36 |