Assay Detail
Binding
CHEMBL4678767
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Inhibition of recombinant N-terminal His/MBP-tagged NDM-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) measured immediately by spectrophotometry
11
Total Activities
11
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Not specified |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 11 | 4.80 | 5.34 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4744333 | — | — | 1 | 5.34 |
| CHEMBL4792244 | — | — | 1 | 5.31 |
| CHEMBL4779943 | — | — | 1 | 5.16 |
| CHEMBL4759908 | — | — | 1 | 4.96 |
| CHEMBL4793896 | — | — | 1 | 4.70 |
| CHEMBL4764694 | — | — | 1 | 4.69 |
| CHEMBL434965 | D-CAPTOPRIL | — | 1 | 4.66 |
| CHEMBL4779672 | — | — | 1 | 4.55 |
| CHEMBL4764352 | — | — | 1 | 4.55 |
| CHEMBL4784122 | — | — | 1 | 4.12 |
| CHEMBL4782309 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4744333 | — | IC50 | = | 4600.0 | nM | 5.34 |
| CHEMBL4792244 | — | IC50 | = | 4900.0 | nM | 5.31 |
| CHEMBL4779943 | — | IC50 | = | 6900.0 | nM | 5.16 |
| CHEMBL4759908 | — | IC50 | = | 11100.0 | nM | 4.96 |
| CHEMBL4793896 | — | IC50 | = | 19800.0 | nM | 4.70 |
| CHEMBL4764694 | — | IC50 | = | 20400.0 | nM | 4.69 |
| CHEMBL434965 | D-CAPTOPRIL | IC50 | = | 21800.0 | nM | 4.66 |
| CHEMBL4779672 | — | IC50 | = | 27900.0 | nM | 4.55 |
| CHEMBL4764352 | — | IC50 | = | 28400.0 | nM | 4.55 |
| CHEMBL4784122 | — | IC50 | = | 75000.0 | nM | 4.12 |
| CHEMBL4782309 | — | IC50 | > | 300000.0 | nM | - |