Assay Detail
Binding
CHEMBL869111
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Inhibition of Bacteroides fragilis CcrA
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Bacteroides fragilis |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Target
Metallo-beta-lactamase type 2 (CHEMBL4840) ↗| Type | SINGLE PROTEIN |
| Organism | Bacteroides fragilis |
Publication
Structure-activity relationship of 6-methylidene penems bearing 6,5 bicyclic heterocycles as broad-spectrum beta-lactamase inhibitors: evidence for 1,4-thiazepine intermediates with C7 R stereochemistry by computational methods.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 15 | 7.15 | 8.10 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL425963 | — | — | 1 | 8.10 |
| CHEMBL380061 | — | — | 1 | 7.85 |
| CHEMBL377382 | — | — | 1 | 7.52 |
| CHEMBL378119 | — | — | 1 | 7.37 |
| CHEMBL212760 | — | — | 1 | 7.21 |
| CHEMBL385593 | — | — | 1 | 7.21 |
| CHEMBL212163 | — | — | 1 | 7.18 |
| CHEMBL378041 | — | — | 1 | 7.11 |
| CHEMBL211889 | — | — | 1 | 6.96 |
| CHEMBL212478 | — | — | 1 | 6.92 |
| CHEMBL377001 | — | — | 1 | 6.85 |
| CHEMBL379856 | — | — | 1 | 6.79 |
| CHEMBL211143 | — | — | 1 | 6.55 |
| CHEMBL379440 | — | — | 1 | 6.50 |
| CHEMBL404 | TAZOBACTAM | 4.0 | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL425963 | — | IC50 | = | 8.0 | nM | 8.10 |
| CHEMBL380061 | — | IC50 | = | 14.0 | nM | 7.85 |
| CHEMBL377382 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL378119 | — | IC50 | = | 43.0 | nM | 7.37 |
| CHEMBL212760 | — | IC50 | = | 61.0 | nM | 7.21 |
| CHEMBL385593 | — | IC50 | = | 62.0 | nM | 7.21 |
| CHEMBL212163 | — | IC50 | = | 66.0 | nM | 7.18 |
| CHEMBL378041 | — | IC50 | = | 78.0 | nM | 7.11 |
| CHEMBL211889 | — | IC50 | = | 110.0 | nM | 6.96 |
| CHEMBL212478 | — | IC50 | = | 120.0 | nM | 6.92 |
| CHEMBL377001 | — | IC50 | = | 140.0 | nM | 6.85 |
| CHEMBL379856 | — | IC50 | = | 162.0 | nM | 6.79 |
| CHEMBL211143 | — | IC50 | = | 280.0 | nM | 6.55 |
| CHEMBL379440 | — | IC50 | = | 320.0 | nM | 6.50 |
| CHEMBL404 | TAZOBACTAM | IC50 | = | 400000.0 | nM | - |