Assay Detail
Binding
CHEMBL4276407
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Inhibition of HIV1 wild type NL4-3 protease expressed in Escherichia coli Rosetta (DE3) pLysS using Abz-Thr-Ile-Nle-Phe-(pNO2)-Gln-Arg-NH2 as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 1 hr by fluorescence assay
15
Total Activities
15
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 | Intermediate |
Publication
Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 15 | 9.80 | 10.80 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4286231 | — | — | 1 | 10.80 |
| CHEMBL4286714 | — | — | 1 | 10.80 |
| CHEMBL1323 | DARUNAVIR | 4.0 | 1 | 10.80 |
| CHEMBL4277886 | — | — | 1 | 10.52 |
| CHEMBL4292006 | — | — | 1 | 10.40 |
| CHEMBL4277970 | — | — | 1 | 10.10 |
| CHEMBL4283819 | — | — | 1 | 9.85 |
| CHEMBL4278306 | — | — | 1 | 9.80 |
| CHEMBL4277539 | — | — | 1 | 9.80 |
| CHEMBL4278989 | — | — | 1 | 9.72 |
| CHEMBL4286215 | — | — | 1 | 9.48 |
| CHEMBL4279922 | — | — | 1 | 9.20 |
| CHEMBL4288541 | — | — | 1 | 8.88 |
| CHEMBL4284787 | — | — | 1 | 7.03 |
| CHEMBL4293023 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4286231 | — | Ki | = | 0.016 | nM | 10.80 |
| CHEMBL4286714 | — | Ki | = | 0.016 | nM | 10.80 |
| CHEMBL1323 | DARUNAVIR | Ki | = | 0.016 | nM | 10.80 |
| CHEMBL4277886 | — | Ki | = | 0.03 | nM | 10.52 |
| CHEMBL4292006 | — | Ki | = | 0.04 | nM | 10.40 |
| CHEMBL4277970 | — | Ki | = | 0.08 | nM | 10.10 |
| CHEMBL4283819 | — | Ki | = | 0.14 | nM | 9.85 |
| CHEMBL4278306 | — | Ki | = | 0.16 | nM | 9.80 |
| CHEMBL4277539 | — | Ki | = | 0.16 | nM | 9.80 |
| CHEMBL4278989 | — | Ki | = | 0.19 | nM | 9.72 |
| CHEMBL4286215 | — | Ki | = | 0.33 | nM | 9.48 |
| CHEMBL4279922 | — | Ki | = | 0.63 | nM | 9.20 |
| CHEMBL4288541 | — | Ki | = | 1.33 | nM | 8.88 |
| CHEMBL4284787 | — | Ki | = | 92.8 | nM | 7.03 |
| CHEMBL4293023 | — | Ki | = | 0.0012 | nM | - |