Assay Detail
Binding
CHEMBL1020733
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Apparent inhibition of Trypanosoma brucei pteridine reductase 1-mediated reduction of cytochrome c
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Trypanosoma brucei |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Pteridine reductase, putative (CHEMBL5228) ↗| Type | SINGLE PROTEIN |
| Organism | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) |
Publication
One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 11 | 5.48 | 8.15 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL484995 | — | — | 1 | 8.15 |
| CHEMBL520832 | — | — | 1 | 7.33 |
| CHEMBL520667 | — | — | 1 | 6.40 |
| CHEMBL484827 | — | — | 1 | 6.29 |
| CHEMBL483978 | — | — | 1 | 5.01 |
| CHEMBL269158 | — | — | 1 | 4.97 |
| CHEMBL445168 | — | — | 1 | 4.68 |
| CHEMBL502582 | — | — | 1 | 4.62 |
| CHEMBL483965 | — | — | 1 | 3.85 |
| CHEMBL305513 | — | — | 1 | 3.54 |
| CHEMBL464157 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL484995 | — | Ki | = | 7.0 | nM | 8.15 |
| CHEMBL520832 | — | Ki | = | 47.0 | nM | 7.33 |
| CHEMBL520667 | — | Ki | = | 400.0 | nM | 6.40 |
| CHEMBL484827 | — | Ki | = | 510.0 | nM | 6.29 |
| CHEMBL483978 | — | Ki | = | 9800.0 | nM | 5.01 |
| CHEMBL269158 | — | Ki | = | 10600.0 | nM | 4.97 |
| CHEMBL445168 | — | Ki | = | 21100.0 | nM | 4.68 |
| CHEMBL502582 | — | Ki | = | 23900.0 | nM | 4.62 |
| CHEMBL483965 | — | Ki | = | 141000.0 | nM | 3.85 |
| CHEMBL305513 | — | Ki | = | 288000.0 | nM | 3.54 |
| CHEMBL464157 | — | Ki | > | 200000.0 | nM | - |