Assay Detail
Binding
CHEMBL768260
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Binding affinity to HIV-1 protease
84
Total Activities
81
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
Three-dimensional pharmacophores from binding data.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 84 | 6.92 | 9.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL114 | SAQUINAVIR | 4.0 | 1 | 9.92 |
| CHEMBL48565 | — | — | 1 | 9.66 |
| CHEMBL299659 | — | — | 1 | 9.66 |
| CHEMBL300050 | — | — | 1 | 9.62 |
| CHEMBL295414 | — | — | 1 | 9.47 |
| CHEMBL300968 | — | — | 1 | 9.42 |
| CHEMBL46337 | — | — | 1 | 9.22 |
| CHEMBL52130 | — | — | 1 | 9.00 |
| CHEMBL301365 | — | — | 1 | 8.85 |
| CHEMBL298303 | — | — | 1 | 8.68 |
| CHEMBL408723 | — | — | 1 | 8.66 |
| CHEMBL51463 | — | — | 2 | 8.57 |
| CHEMBL52051 | — | — | 1 | 8.54 |
| CHEMBL300858 | — | — | 1 | 8.47 |
| CHEMBL299375 | — | — | 1 | 8.43 |
| CHEMBL49288 | — | — | 1 | 8.31 |
| CHEMBL301833 | — | — | 1 | 8.30 |
| CHEMBL48180 | — | — | 1 | 8.30 |
| CHEMBL299376 | — | — | 1 | 8.30 |
| CHEMBL48770 | — | — | 1 | 8.15 |
| CHEMBL263523 | — | — | 1 | 8.06 |
| CHEMBL51521 | — | — | 1 | 8.00 |
| CHEMBL297931 | — | — | 1 | 7.96 |
| CHEMBL3350218 | — | — | 1 | 7.92 |
| CHEMBL275554 | — | — | 1 | 7.92 |
| CHEMBL48693 | — | — | 1 | 7.92 |
| CHEMBL296588 | PEPSTATIN | 2.0 | 1 | 7.77 |
| CHEMBL49004 | — | — | 1 | 7.74 |
| CHEMBL297192 | — | — | 1 | 7.68 |
| CHEMBL2311136 | — | — | 1 | 7.68 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL114 | SAQUINAVIR | Ki | = | 0.1202 | nM | 9.92 |
| CHEMBL299659 | — | Ki | = | 0.2188 | nM | 9.66 |
| CHEMBL48565 | — | Ki | = | 0.2188 | nM | 9.66 |
| CHEMBL300050 | — | Ki | = | 0.2399 | nM | 9.62 |
| CHEMBL295414 | — | Ki | = | 0.3388 | nM | 9.47 |
| CHEMBL300968 | — | Ki | = | 0.3802 | nM | 9.42 |
| CHEMBL46337 | — | Ki | = | 0.6026 | nM | 9.22 |
| CHEMBL52130 | — | Ki | = | 1.0 | nM | 9.00 |
| CHEMBL301365 | — | Ki | = | 1.413 | nM | 8.85 |
| CHEMBL298303 | — | Ki | = | 2.089 | nM | 8.68 |
| CHEMBL408723 | — | Ki | = | 2.188 | nM | 8.66 |
| CHEMBL51463 | — | Ki | = | 2.692 | nM | 8.57 |
| CHEMBL52051 | — | Ki | = | 2.884 | nM | 8.54 |
| CHEMBL300858 | — | Ki | = | 3.388 | nM | 8.47 |
| CHEMBL299375 | — | Ki | = | 3.715 | nM | 8.43 |
| CHEMBL49288 | — | Ki | = | 4.898 | nM | 8.31 |
| CHEMBL301833 | — | Ki | = | 5.012 | nM | 8.30 |
| CHEMBL51463 | — | Ki | = | 5.012 | nM | 8.30 |
| CHEMBL48180 | — | Ki | = | 5.012 | nM | 8.30 |
| CHEMBL299376 | — | Ki | = | 5.012 | nM | 8.30 |
| CHEMBL48770 | — | Ki | = | 7.079 | nM | 8.15 |
| CHEMBL263523 | — | Ki | = | 8.71 | nM | 8.06 |
| CHEMBL51521 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL297931 | — | Ki | = | 10.96 | nM | 7.96 |
| CHEMBL3350218 | — | Ki | = | 12.02 | nM | 7.92 |
| CHEMBL275554 | — | Ki | = | 12.02 | nM | 7.92 |
| CHEMBL48693 | — | Ki | = | 12.02 | nM | 7.92 |
| CHEMBL296588 | PEPSTATIN | Ki | = | 16.98 | nM | 7.77 |
| CHEMBL49004 | — | Ki | = | 18.2 | nM | 7.74 |
| CHEMBL297192 | — | Ki | = | 20.89 | nM | 7.68 |
| CHEMBL2311136 | — | Ki | = | 20.89 | nM | 7.68 |
| CHEMBL432309 | — | Ki | = | 25.7 | nM | 7.59 |
| CHEMBL299109 | — | Ki | = | 28.18 | nM | 7.55 |
| CHEMBL301728 | ACETYLPEPSTATIN | Ki | = | 35.48 | nM | 7.45 |
| CHEMBL9618 | — | Ki | = | 39.81 | nM | 7.40 |
| CHEMBL277655 | — | Ki | = | 47.86 | nM | 7.32 |
| CHEMBL297492 | — | Ki | = | 61.66 | nM | 7.21 |
| CHEMBL299667 | — | Ki | = | 63.1 | nM | 7.20 |
| CHEMBL407853 | — | Ki | = | 70.79 | nM | 7.15 |
| CHEMBL52483 | — | Ki | = | 70.79 | nM | 7.15 |
| CHEMBL265557 | — | Ki | = | 79.43 | nM | 7.10 |
| CHEMBL49936 | — | Ki | = | 120.23 | nM | 6.92 |
| CHEMBL433088 | — | Ki | = | 158.49 | nM | 6.80 |
| CHEMBL51680 | — | Ki | = | 181.97 | nM | 6.74 |
| CHEMBL300475 | — | Ki | = | 218.78 | nM | 6.66 |
| CHEMBL9726 | — | Ki | = | 281.84 | nM | 6.55 |
| CHEMBL300428 | — | Ki | = | 363.08 | nM | 6.44 |
| CHEMBL51362 | — | Ki | = | 363.08 | nM | 6.44 |
| CHEMBL444834 | — | Ki | = | 416.87 | nM | 6.38 |
| CHEMBL407010 | — | Ki | = | 501.19 | nM | 6.30 |