Assay Detail
Binding
CHEMBL3863934
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Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as change in transition temperature by SYPRO orange dye based fluorescence-based thermal shift assay
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Shigella dysenteriae |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
In Silico Discovery and Validation of Amide Based Small Molecule Targeting the Enzymatic Site of Shiga Toxin.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 20 | 4.82 | 5.49 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3933587 | — | — | 1 | 5.49 |
| CHEMBL3939786 | — | — | 1 | 5.47 |
| CHEMBL2375419 | — | — | 1 | 5.39 |
| CHEMBL3917910 | — | — | 1 | 5.30 |
| CHEMBL1253710 | — | — | 1 | 5.22 |
| CHEMBL3935227 | — | — | 1 | 5.17 |
| CHEMBL3964948 | — | — | 1 | 5.06 |
| CHEMBL241862 | — | — | 1 | 5.00 |
| CHEMBL227423 | — | — | 1 | 4.96 |
| CHEMBL3952356 | — | — | 1 | 4.88 |
| CHEMBL2336353 | N-(2-HYDROXYPHENYL)CINNAMAMIDE | — | 1 | 4.73 |
| CHEMBL3889898 | — | — | 1 | 4.46 |
| CHEMBL3934770 | — | — | 1 | 4.43 |
| CHEMBL590801 | — | — | 1 | 4.38 |
| CHEMBL3963596 | — | — | 1 | 4.37 |
| CHEMBL3955063 | — | — | 1 | 4.27 |
| CHEMBL3895016 | — | — | 1 | 4.13 |
| CHEMBL3942549 | — | — | 1 | 4.03 |
| CHEMBL3924676 | — | — | 1 | - |
| CHEMBL250859 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3933587 | — | Ki | = | 3210.0 | nM | 5.49 |
| CHEMBL3939786 | — | Ki | = | 3360.0 | nM | 5.47 |
| CHEMBL2375419 | — | Ki | = | 4100.0 | nM | 5.39 |
| CHEMBL3917910 | — | Ki | = | 5000.0 | nM | 5.30 |
| CHEMBL1253710 | — | Ki | = | 5960.0 | nM | 5.22 |
| CHEMBL3935227 | — | Ki | = | 6690.0 | nM | 5.17 |
| CHEMBL3964948 | — | Ki | = | 8780.0 | nM | 5.06 |
| CHEMBL241862 | — | Ki | = | 9930.0 | nM | 5.00 |
| CHEMBL227423 | — | Ki | = | 10880.0 | nM | 4.96 |
| CHEMBL3952356 | — | Ki | = | 13330.0 | nM | 4.88 |
| CHEMBL2336353 | N-(2-HYDROXYPHENYL)CINNAMAMIDE | Ki | = | 18680.0 | nM | 4.73 |
| CHEMBL3889898 | — | Ki | = | 34500.0 | nM | 4.46 |
| CHEMBL3934770 | — | Ki | = | 37050.0 | nM | 4.43 |
| CHEMBL590801 | — | Ki | = | 41990.0 | nM | 4.38 |
| CHEMBL3963596 | — | Ki | = | 42460.0 | nM | 4.37 |
| CHEMBL3955063 | — | Ki | = | 53780.0 | nM | 4.27 |
| CHEMBL3895016 | — | Ki | = | 73780.0 | nM | 4.13 |
| CHEMBL3942549 | — | Ki | = | 93860.0 | nM | 4.03 |
| CHEMBL3924676 | — | Ki | = | 189360.0 | nM | - |
| CHEMBL250859 | — | Ki | = | 439630.0 | nM | - |