Assay Detail
Binding
CHEMBL3705545
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition Assay: All the benzisoselenazol-3(2H)-one and bisbenzisoselenazol-3(2H)-one derivatives were tested as potential E. coli TrxR inhibitors by standard DTNB assay.
24
Total Activities
14
Compounds Tested
2
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Escherichia coli |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Target
Thioredoxin reductase (CHEMBL3638339) ↗| Type | SINGLE PROTEIN |
| Organism | Escherichia coli (strain K12) |
Publication
Bacterial thioredoxin reductase inhibitors and methods for use thereof
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 14 | 5.31 | 5.82 |
| Ki | 10 | 6.64 | 8.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL2035464 | — | — | 2 | 8.00 |
| CHEMBL2035461 | — | — | 2 | 7.40 |
| CHEMBL2035460 | ETHASELEN | 1.0 | 2 | 7.30 |
| CHEMBL3655713 | — | — | 2 | 6.60 |
| CHEMBL3655720 | — | — | 2 | 6.60 |
| CHEMBL51085 | EBSELEN | 3.0 | 2 | 6.52 |
| CHEMBL3655712 | — | — | 2 | 6.26 |
| CHEMBL3655716 | — | — | 2 | 6.00 |
| CHEMBL3655714 | — | — | 2 | 5.92 |
| CHEMBL3655715 | — | — | 1 | 5.82 |
| CHEMBL3655721 | — | — | 2 | 5.82 |
| CHEMBL3655717 | — | — | 1 | 4.82 |
| CHEMBL3655718 | — | — | 1 | 4.82 |
| CHEMBL3655719 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL2035464 | — | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL2035461 | — | Ki | = | 40.0 | nM | 7.40 |
| CHEMBL2035460 | ETHASELEN | Ki | = | 50.0 | nM | 7.30 |
| CHEMBL3655720 | — | Ki | = | 250.0 | nM | 6.60 |
| CHEMBL3655713 | — | Ki | = | 250.0 | nM | 6.60 |
| CHEMBL51085 | EBSELEN | Ki | = | 300.0 | nM | 6.52 |
| CHEMBL3655712 | — | Ki | = | 550.0 | nM | 6.26 |
| CHEMBL3655716 | — | Ki | = | 1000.0 | nM | 6.00 |
| CHEMBL3655714 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL3655721 | — | Ki | = | 1500.0 | nM | 5.82 |
| CHEMBL3655715 | — | IC50 | = | 1500.0 | nM | 5.82 |
| CHEMBL2035460 | ETHASELEN | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL2035461 | — | IC50 | = | 2100.0 | nM | 5.68 |
| CHEMBL2035464 | — | IC50 | = | 2250.0 | nM | 5.65 |
| CHEMBL3655721 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL3655720 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL51085 | EBSELEN | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL3655713 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL3655712 | — | IC50 | = | 7000.0 | nM | 5.16 |
| CHEMBL3655714 | — | IC50 | = | 7500.0 | nM | 5.12 |
| CHEMBL3655718 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL3655717 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL3655716 | — | IC50 | = | 15000.0 | nM | 4.82 |
| CHEMBL3655719 | — | IC50 | > | 40000.0 | nM | - |