Assay Detail
Binding
CHEMBL5053571
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Binding affinity to hexameric C-terminal His-tagged HIV1 NL4-3 capsid protein A14C/E45C/W184A/M185A mutant expressed in Escherichia coli BL21 codon plus (DE3)RIL assessed as dissociation constant by SPR analysis
8
Total Activities
8
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Human immunodeficiency virus 1 |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Rapid Optimization of the Metabolic Stability of a Human Immunodeficiency Virus Type-1 Capsid Inhibitor Using a Multistep Computational Workflow.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 8 | 6.94 | 7.60 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5088963 | — | — | 1 | 7.60 |
| CHEMBL5080573 | — | — | 1 | 7.36 |
| CHEMBL1229713 | — | — | 1 | 7.21 |
| CHEMBL5091904 | — | — | 1 | 7.02 |
| CHEMBL5080202 | — | — | 1 | 6.86 |
| CHEMBL5076825 | — | — | 1 | 6.72 |
| CHEMBL5087414 | — | — | 1 | 6.47 |
| CHEMBL5079461 | — | — | 1 | 6.31 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5088963 | — | Kd | = | 25.0 | nM | 7.60 |
| CHEMBL5080573 | — | Kd | = | 43.9 | nM | 7.36 |
| CHEMBL1229713 | — | Kd | = | 61.5 | nM | 7.21 |
| CHEMBL5091904 | — | Kd | = | 95.4 | nM | 7.02 |
| CHEMBL5080202 | — | Kd | = | 139.0 | nM | 6.86 |
| CHEMBL5076825 | — | Kd | = | 189.0 | nM | 6.72 |
| CHEMBL5087414 | — | Kd | = | 337.0 | nM | 6.47 |
| CHEMBL5079461 | — | Kd | = | 494.0 | nM | 6.31 |