Assay Detail
Binding
CHEMBL1049070
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Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity
31
Total Activities
31
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Human immunodeficiency virus 1 |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 31 | 8.55 | 9.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL568589 | — | — | 1 | 9.52 |
| CHEMBL566620 | — | — | 1 | 9.52 |
| CHEMBL569671 | — | — | 1 | 9.52 |
| CHEMBL568883 | — | — | 1 | 9.52 |
| CHEMBL568951 | — | — | 1 | 9.47 |
| CHEMBL565964 | — | — | 1 | 9.40 |
| CHEMBL566849 | — | — | 1 | 9.40 |
| CHEMBL566842 | — | — | 1 | 9.30 |
| CHEMBL566902 | — | — | 1 | 9.13 |
| CHEMBL568840 | — | — | 1 | 9.10 |
| CHEMBL568832 | — | — | 1 | 9.10 |
| CHEMBL567444 | — | — | 1 | 9.07 |
| CHEMBL565528 | — | — | 1 | 9.05 |
| CHEMBL569670 | — | — | 1 | 9.00 |
| CHEMBL569236 | — | — | 1 | 8.89 |
| CHEMBL569569 | — | — | 1 | 8.85 |
| CHEMBL568365 | — | — | 1 | 8.77 |
| CHEMBL289846 | — | — | 1 | 8.70 |
| CHEMBL571731 | — | — | 1 | 8.66 |
| CHEMBL567043 | — | — | 1 | 8.54 |
| CHEMBL569673 | — | — | 1 | 8.49 |
| CHEMBL568977 | — | — | 1 | 8.40 |
| CHEMBL568817 | — | — | 1 | 8.40 |
| CHEMBL406493 | A-76928 | — | 1 | 7.82 |
| CHEMBL566839 | — | — | 1 | 7.74 |
| CHEMBL570827 | — | — | 1 | 7.66 |
| CHEMBL569111 | — | — | 1 | 7.42 |
| CHEMBL567500 | — | — | 1 | 7.00 |
| CHEMBL565766 | — | — | 1 | 6.85 |
| CHEMBL569672 | — | — | 1 | 6.47 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL568589 | — | IC50 | = | 0.302 | nM | 9.52 |
| CHEMBL566620 | — | IC50 | = | 0.302 | nM | 9.52 |
| CHEMBL569671 | — | IC50 | = | 0.302 | nM | 9.52 |
| CHEMBL568883 | — | IC50 | = | 0.302 | nM | 9.52 |
| CHEMBL568951 | — | IC50 | = | 0.3388 | nM | 9.47 |
| CHEMBL565964 | — | IC50 | = | 0.3981 | nM | 9.40 |
| CHEMBL566849 | — | IC50 | = | 0.3981 | nM | 9.40 |
| CHEMBL566842 | — | IC50 | = | 0.5012 | nM | 9.30 |
| CHEMBL566902 | — | IC50 | = | 0.7413 | nM | 9.13 |
| CHEMBL568840 | — | IC50 | = | 0.7943 | nM | 9.10 |
| CHEMBL568832 | — | IC50 | = | 0.7943 | nM | 9.10 |
| CHEMBL567444 | — | IC50 | = | 0.8511 | nM | 9.07 |
| CHEMBL565528 | — | IC50 | = | 0.8913 | nM | 9.05 |
| CHEMBL569670 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL569236 | — | IC50 | = | 1.288 | nM | 8.89 |
| CHEMBL569569 | — | IC50 | = | 1.413 | nM | 8.85 |
| CHEMBL568365 | — | IC50 | = | 1.698 | nM | 8.77 |
| CHEMBL289846 | — | IC50 | = | 1.995 | nM | 8.70 |
| CHEMBL571731 | — | IC50 | = | 2.188 | nM | 8.66 |
| CHEMBL567043 | — | IC50 | = | 2.884 | nM | 8.54 |
| CHEMBL569673 | — | IC50 | = | 3.236 | nM | 8.49 |
| CHEMBL568977 | — | IC50 | = | 3.981 | nM | 8.40 |
| CHEMBL568817 | — | IC50 | = | 3.981 | nM | 8.40 |
| CHEMBL406493 | A-76928 | IC50 | = | 15.14 | nM | 7.82 |
| CHEMBL566839 | — | IC50 | = | 18.2 | nM | 7.74 |
| CHEMBL570827 | — | IC50 | = | 21.88 | nM | 7.66 |
| CHEMBL569111 | — | IC50 | = | 38.02 | nM | 7.42 |
| CHEMBL567500 | — | IC50 | = | 100.0 | nM | 7.00 |
| CHEMBL565766 | — | IC50 | = | 141.25 | nM | 6.85 |
| CHEMBL569672 | — | IC50 | = | 338.84 | nM | 6.47 |
| CHEMBL569573 | — | IC50 | = | 363.08 | nM | 6.44 |