Assay Detail
Binding
CHEMBL5357834
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Inhibition of porcine PDHc E1-subunit incubated for 30 mins followed by pyruvate addition in presence of thiamine pyrophosphate by microplate reader analysis
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Sus scrofa |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial (CHEMBL3774302) ↗| Type | SINGLE PROTEIN |
| Organism | Sus scrofa |
Publication
Thiamine analogues featuring amino-oxetanes as potent and selective inhibitors of pyruvate dehydrogenase.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 5.19 | 6.05 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5419102 | — | — | 1 | 6.05 |
| CHEMBL5417802 | — | — | 1 | 6.00 |
| CHEMBL5417002 | — | — | 1 | 5.60 |
| CHEMBL5410728 | — | — | 1 | 5.52 |
| CHEMBL5419964 | — | — | 1 | 5.48 |
| CHEMBL5420203 | — | — | 1 | 5.46 |
| CHEMBL401772 | 3-DEAZATHIAMINE | — | 1 | 5.44 |
| CHEMBL5440127 | — | — | 1 | 5.29 |
| CHEMBL5408769 | — | — | 1 | 5.20 |
| CHEMBL5417344 | — | — | 1 | 5.11 |
| CHEMBL5401064 | — | — | 1 | 5.04 |
| CHEMBL5173431 | — | — | 1 | 4.97 |
| CHEMBL5437447 | — | — | 1 | 4.68 |
| CHEMBL4277786 | — | — | 1 | 4.52 |
| CHEMBL5406774 | — | — | 1 | 4.46 |
| CHEMBL5441074 | — | — | 1 | 4.18 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5419102 | — | IC50 | = | 890.0 | nM | 6.05 |
| CHEMBL5417802 | — | IC50 | = | 990.0 | nM | 6.00 |
| CHEMBL5417002 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL5410728 | — | IC50 | = | 3000.0 | nM | 5.52 |
| CHEMBL5419964 | — | IC50 | = | 3300.0 | nM | 5.48 |
| CHEMBL5420203 | — | IC50 | = | 3500.0 | nM | 5.46 |
| CHEMBL401772 | 3-DEAZATHIAMINE | IC50 | = | 3600.0 | nM | 5.44 |
| CHEMBL5440127 | — | IC50 | = | 5100.0 | nM | 5.29 |
| CHEMBL5408769 | — | IC50 | = | 6300.0 | nM | 5.20 |
| CHEMBL5417344 | — | IC50 | = | 7800.0 | nM | 5.11 |
| CHEMBL5401064 | — | IC50 | = | 9200.0 | nM | 5.04 |
| CHEMBL5173431 | — | IC50 | = | 10600.0 | nM | 4.97 |
| CHEMBL5437447 | — | IC50 | = | 21000.0 | nM | 4.68 |
| CHEMBL4277786 | — | IC50 | = | 30000.0 | nM | 4.52 |
| CHEMBL5406774 | — | IC50 | = | 35000.0 | nM | 4.46 |
| CHEMBL5441074 | — | IC50 | = | 66000.0 | nM | 4.18 |