Assay Detail
Binding
CHEMBL5323121
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Inhibition of HIV-1 protease expressed in Escherichia coli assessed as inhibition constant using Ac-Thr-Ile-Met-Met-Gln-Arg as substrate preincubated for 10 mins followed by substrate addition by HPLC analysis
17
Total Activities
17
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 |
Target
Human immunodeficiency virus type 1 protease (CHEMBL243) ↗| Type | SINGLE PROTEIN |
| Organism | Human immunodeficiency virus 1 |
Publication
Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 17 | 8.06 | 10.80 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1323 | DARUNAVIR | 4.0 | 1 | 10.80 |
| CHEMBL5423653 | — | — | 1 | 10.55 |
| CHEMBL5426587 | — | — | 1 | 9.77 |
| CHEMBL5405409 | — | — | 1 | 9.24 |
| CHEMBL5415174 | — | — | 1 | 8.72 |
| CHEMBL5434148 | — | — | 1 | 8.06 |
| CHEMBL5401168 | — | — | 1 | 7.75 |
| CHEMBL5424142 | — | — | 1 | 7.71 |
| CHEMBL5413632 | — | — | 1 | 7.58 |
| CHEMBL5436695 | — | — | 1 | 7.42 |
| CHEMBL5428355 | — | — | 1 | 7.22 |
| CHEMBL5434474 | — | — | 1 | 7.14 |
| CHEMBL5408435 | — | — | 1 | 7.14 |
| CHEMBL5435408 | — | — | 1 | 7.12 |
| CHEMBL5422477 | — | — | 1 | 7.10 |
| CHEMBL5432043 | — | — | 1 | 6.91 |
| CHEMBL5405809 | — | — | 1 | 6.73 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1323 | DARUNAVIR | Ki | = | 0.016 | nM | 10.80 |
| CHEMBL5423653 | — | Ki | = | 0.028 | nM | 10.55 |
| CHEMBL5426587 | — | Ki | = | 0.17 | nM | 9.77 |
| CHEMBL5405409 | — | Ki | = | 0.58 | nM | 9.24 |
| CHEMBL5415174 | — | Ki | = | 1.92 | nM | 8.72 |
| CHEMBL5434148 | — | Ki | = | 8.7 | nM | 8.06 |
| CHEMBL5401168 | — | Ki | = | 18.0 | nM | 7.75 |
| CHEMBL5424142 | — | Ki | = | 19.3 | nM | 7.71 |
| CHEMBL5413632 | — | Ki | = | 26.5 | nM | 7.58 |
| CHEMBL5436695 | — | Ki | = | 38.3 | nM | 7.42 |
| CHEMBL5428355 | — | Ki | = | 60.3 | nM | 7.22 |
| CHEMBL5434474 | — | Ki | = | 71.9 | nM | 7.14 |
| CHEMBL5408435 | — | Ki | = | 72.0 | nM | 7.14 |
| CHEMBL5435408 | — | Ki | = | 75.9 | nM | 7.12 |
| CHEMBL5422477 | — | Ki | = | 80.0 | nM | 7.10 |
| CHEMBL5432043 | — | Ki | = | 122.0 | nM | 6.91 |
| CHEMBL5405809 | — | Ki | = | 185.2 | nM | 6.73 |