Assay Detail
Binding
CHEMBL3863940
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Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit in African green monkey Vero cells assessed as inhibition of Stx-induced cytotoxicity pre-treated with compound for 1 hr followed by Stx exposure for 24 hrs by neutral red uptake assay
11
Total Activities
9
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Shigella dysenteriae |
| Cell Type | Vero |
| 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 |
|---|---|---|---|
| IC50 | 9 | 5.07 | 5.58 |
| Inhibition | 1 | - | - |
| Imax | 1 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL3935227 | — | — | 1 | 5.58 |
| CHEMBL250859 | — | — | 1 | 5.11 |
| CHEMBL3963596 | — | — | 3 | 5.10 |
| CHEMBL3924676 | — | — | 1 | 5.09 |
| CHEMBL219568 | GUANINE | 3.0 | 1 | 4.94 |
| CHEMBL1467 | ALLOPURINOL | 4.0 | 1 | 4.62 |
| CHEMBL3933587 | — | — | 1 | - |
| CHEMBL3952356 | — | — | 1 | - |
| CHEMBL3939786 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL3935227 | — | IC50 | = | 2630.0 | nM | 5.58 |
| CHEMBL250859 | — | IC50 | = | 7700.0 | nM | 5.11 |
| CHEMBL3963596 | — | IC50 | = | 7960.0 | nM | 5.10 |
| CHEMBL3924676 | — | IC50 | = | 8200.0 | nM | 5.09 |
| CHEMBL219568 | GUANINE | IC50 | = | 11500.0 | nM | 4.94 |
| CHEMBL1467 | ALLOPURINOL | IC50 | = | 23900.0 | nM | 4.62 |
| CHEMBL3933587 | — | IC50 | - | — | - | |
| CHEMBL3952356 | — | IC50 | - | — | - | |
| CHEMBL3939786 | — | IC50 | - | — | - | |
| CHEMBL3963596 | — | Inhibition | - | % | - | |
| CHEMBL3963596 | — | Imax | = | 12.0 | uM | - |