Assay Detail
Binding
CHEMBL768257
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Inhibitory potency against HIV-1 protease
77
Total Activities
77
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 | Expert |
Target
Human immunodeficiency virus type 1 protease (CHEMBL243) ↗| Type | SINGLE PROTEIN |
| Organism | Human immunodeficiency virus 1 |
Publication
Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 77 | 7.28 | 9.40 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL114 | SAQUINAVIR | 4.0 | 1 | 9.40 |
| CHEMBL3085518 | — | — | 1 | 9.24 |
| CHEMBL337283 | — | — | 1 | 8.96 |
| CHEMBL334985 | — | — | 1 | 8.89 |
| CHEMBL3350196 | — | — | 1 | 8.74 |
| CHEMBL335391 | — | — | 1 | 8.72 |
| CHEMBL132777 | — | — | 1 | 8.70 |
| CHEMBL1790969 | — | — | 1 | 8.64 |
| CHEMBL337053 | — | — | 1 | 8.57 |
| CHEMBL133552 | — | — | 1 | 8.52 |
| CHEMBL132432 | — | — | 1 | 8.52 |
| CHEMBL3350215 | — | — | 1 | 8.47 |
| CHEMBL3349496 | — | — | 1 | 8.40 |
| CHEMBL3349662 | — | — | 1 | 8.37 |
| CHEMBL3350207 | — | — | 1 | 8.35 |
| CHEMBL129565 | — | — | 1 | 8.30 |
| CHEMBL335093 | — | — | 1 | 8.22 |
| CHEMBL3349847 | — | — | 1 | 8.13 |
| CHEMBL3350211 | — | — | 1 | 8.05 |
| CHEMBL3350197 | — | — | 1 | 7.95 |
| CHEMBL3350209 | — | — | 1 | 7.95 |
| CHEMBL3350206 | — | — | 1 | 7.95 |
| CHEMBL335916 | — | — | 1 | 7.92 |
| CHEMBL111958 | — | — | 1 | 7.89 |
| CHEMBL335379 | — | — | 1 | 7.89 |
| CHEMBL131802 | — | — | 1 | 7.85 |
| CHEMBL3349889 | — | — | 1 | 7.85 |
| CHEMBL3350200 | — | — | 1 | 7.80 |
| CHEMBL335073 | — | — | 1 | 7.80 |
| CHEMBL93082 | — | — | 1 | 7.75 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL114 | SAQUINAVIR | IC50 | = | 0.3999 | nM | 9.40 |
| CHEMBL3085518 | — | IC50 | = | 0.5794 | nM | 9.24 |
| CHEMBL337283 | — | IC50 | = | 1.099 | nM | 8.96 |
| CHEMBL334985 | — | IC50 | = | 1.3 | nM | 8.89 |
| CHEMBL3350196 | — | IC50 | = | 1.799 | nM | 8.74 |
| CHEMBL335391 | — | IC50 | = | 1.901 | nM | 8.72 |
| CHEMBL132777 | — | IC50 | = | 2.0 | nM | 8.70 |
| CHEMBL1790969 | — | IC50 | = | 2.301 | nM | 8.64 |
| CHEMBL337053 | — | IC50 | = | 2.698 | nM | 8.57 |
| CHEMBL133552 | — | IC50 | = | 2.999 | nM | 8.52 |
| CHEMBL132432 | — | IC50 | = | 2.999 | nM | 8.52 |
| CHEMBL3350215 | — | IC50 | = | 3.396 | nM | 8.47 |
| CHEMBL3349496 | — | IC50 | = | 3.999 | nM | 8.40 |
| CHEMBL3349662 | — | IC50 | = | 4.295 | nM | 8.37 |
| CHEMBL3350207 | — | IC50 | = | 4.498 | nM | 8.35 |
| CHEMBL129565 | — | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL335093 | — | IC50 | = | 6.012 | nM | 8.22 |
| CHEMBL3349847 | — | IC50 | = | 7.396 | nM | 8.13 |
| CHEMBL3350211 | — | IC50 | = | 8.995 | nM | 8.05 |
| CHEMBL3350197 | — | IC50 | = | 11.22 | nM | 7.95 |
| CHEMBL3350209 | — | IC50 | = | 11.22 | nM | 7.95 |
| CHEMBL3350206 | — | IC50 | = | 11.22 | nM | 7.95 |
| CHEMBL335916 | — | IC50 | = | 11.99 | nM | 7.92 |
| CHEMBL111958 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL335379 | — | IC50 | = | 13.0 | nM | 7.89 |
| CHEMBL131802 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL3349889 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL3350200 | — | IC50 | = | 15.74 | nM | 7.80 |
| CHEMBL335073 | — | IC50 | = | 16.0 | nM | 7.80 |
| CHEMBL93082 | — | IC50 | = | 17.99 | nM | 7.75 |
| CHEMBL133883 | — | IC50 | = | 19.01 | nM | 7.72 |
| CHEMBL134296 | — | IC50 | = | 19.01 | nM | 7.72 |
| CHEMBL3085515 | — | IC50 | = | 20.0 | nM | 7.70 |
| CHEMBL133585 | — | IC50 | = | 23.01 | nM | 7.64 |
| CHEMBL3350216 | — | IC50 | = | 23.01 | nM | 7.64 |
| CHEMBL3350210 | — | IC50 | = | 24.77 | nM | 7.61 |
| CHEMBL3349993 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL3085514 | — | IC50 | = | 26.0 | nM | 7.58 |
| CHEMBL3350218 | — | IC50 | = | 26.98 | nM | 7.57 |
| CHEMBL3085513 | — | IC50 | = | 26.98 | nM | 7.57 |
| CHEMBL132036 | — | IC50 | = | 29.04 | nM | 7.54 |
| CHEMBL133022 | — | IC50 | = | 34.99 | nM | 7.46 |
| CHEMBL3085517 | — | IC50 | = | 49.55 | nM | 7.30 |
| CHEMBL3350203 | — | IC50 | = | 58.48 | nM | 7.23 |
| CHEMBL3350204 | — | IC50 | = | 62.95 | nM | 7.20 |
| CHEMBL3350212 | — | IC50 | = | 65.01 | nM | 7.19 |
| CHEMBL132945 | — | IC50 | = | 83.95 | nM | 7.08 |
| CHEMBL335056 | — | IC50 | = | 105.2 | nM | 6.98 |
| CHEMBL278875 | — | IC50 | = | 126.18 | nM | 6.90 |
| CHEMBL337040 | — | IC50 | = | 139.96 | nM | 6.85 |