Assay Detail
Binding
CHEMBL3789280
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Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate
10
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Klebsiella pneumoniae |
| Cell Type | BL21-AI |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Target
Metallo-beta-lactamase type 2 (CHEMBL1667695) ↗| Type | SINGLE PROTEIN |
| Organism | Klebsiella pneumoniae |
Publication
Fragment-based discovery of inhibitor scaffolds targeting the metallo-β-lactamases NDM-1 and VIM-2.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 10 | 3.16 | 4.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1560 | CAPTOPRIL | 4.0 | 2 | 4.30 |
| CHEMBL3278535 | — | — | 2 | 3.32 |
| CHEMBL1327484 | — | — | 2 | 2.97 |
| CHEMBL582878 | — | — | 2 | 2.71 |
| CHEMBL1379384 | — | — | 2 | 2.51 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1560 | CAPTOPRIL | IC50 | = | 49800.0 | nM | 4.30 |
| CHEMBL1560 | CAPTOPRIL | IC50 | = | 50118.72 | nM | 4.30 |
| CHEMBL3278535 | — | IC50 | = | 480000.0 | nM | 3.32 |
| CHEMBL3278535 | — | IC50 | = | 478630.09 | nM | 3.32 |
| CHEMBL1327484 | — | IC50 | = | 1071519.31 | nM | 2.97 |
| CHEMBL1327484 | — | IC50 | = | 1238000.0 | nM | 2.91 |
| CHEMBL582878 | — | IC50 | = | 1946000.0 | nM | 2.71 |
| CHEMBL582878 | — | IC50 | = | 1949844.6 | nM | 2.71 |
| CHEMBL1379384 | — | IC50 | = | 3109000.0 | nM | 2.51 |
| CHEMBL1379384 | — | IC50 | = | 3090295.43 | nM | 2.51 |