Assay Detail
Binding
CHEMBL768622
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Inhibition of HIV-1 protease was determined in vitro
16
Total Activities
16
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
A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 7.42 | 10.27 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL17612 | — | — | 1 | 10.27 |
| CHEMBL319408 | — | — | 1 | 10.22 |
| CHEMBL114 | SAQUINAVIR | 4.0 | 1 | 9.64 |
| CHEMBL109952 | — | — | 1 | 9.16 |
| CHEMBL322037 | — | — | 1 | 8.89 |
| CHEMBL312788 | — | — | 1 | 8.27 |
| CHEMBL322577 | — | — | 1 | 8.12 |
| CHEMBL106530 | — | — | 1 | 7.28 |
| CHEMBL69604 | — | — | 1 | 6.64 |
| CHEMBL320099 | — | — | 1 | 6.25 |
| CHEMBL107259 | — | — | 1 | 6.23 |
| CHEMBL111175 | — | — | 1 | 5.90 |
| CHEMBL9618 | — | — | 1 | 5.86 |
| CHEMBL110144 | — | — | 1 | 5.52 |
| CHEMBL106005 | — | — | 1 | 5.33 |
| CHEMBL323225 | — | — | 1 | 5.17 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL17612 | — | IC50 | = | 0.054 | nM | 10.27 |
| CHEMBL319408 | — | IC50 | = | 0.05998 | nM | 10.22 |
| CHEMBL114 | SAQUINAVIR | IC50 | = | 0.2291 | nM | 9.64 |
| CHEMBL109952 | — | IC50 | = | 0.6918 | nM | 9.16 |
| CHEMBL322037 | — | IC50 | = | 1.288 | nM | 8.89 |
| CHEMBL312788 | — | IC50 | = | 5.4 | nM | 8.27 |
| CHEMBL322577 | — | IC50 | = | 7.586 | nM | 8.12 |
| CHEMBL106530 | — | IC50 | = | 52.8 | nM | 7.28 |
| CHEMBL69604 | — | IC50 | = | 228.98 | nM | 6.64 |
| CHEMBL320099 | — | IC50 | = | 567.94 | nM | 6.25 |
| CHEMBL107259 | — | IC50 | = | 588.98 | nM | 6.23 |
| CHEMBL111175 | — | IC50 | = | 1269.11 | nM | 5.90 |
| CHEMBL9618 | — | IC50 | = | 1374.99 | nM | 5.86 |
| CHEMBL110144 | — | IC50 | = | 3019.95 | nM | 5.52 |
| CHEMBL106005 | — | IC50 | = | 4677.35 | nM | 5.33 |
| CHEMBL323225 | — | IC50 | = | 6760.83 | nM | 5.17 |