Assay Detail
Binding
CHEMBL4054005
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Inhibition of Klebsiella pneumoniae 6His-tagged NDM1 (G36 to R280 residues) expressed in Escherichia coli BL21 Star(DE3) pLysS using imipenem as substrate preincubated for 5 mins followed by substrate addition by spectrophotometric analysis
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Klebsiella pneumoniae |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Metallo-β-lactamase inhibitors by bioisosteric replacement: Preparation, activity and binding.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 20 | 4.98 | 5.75 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4066078 | — | — | 1 | 5.75 |
| CHEMBL4089201 | — | — | 1 | 5.66 |
| CHEMBL4090938 | — | — | 1 | 5.60 |
| CHEMBL4104728 | — | — | 1 | 5.54 |
| CHEMBL4103833 | — | — | 1 | 5.23 |
| CHEMBL4063031 | — | — | 1 | 5.18 |
| CHEMBL4079577 | — | — | 1 | 5.15 |
| CHEMBL4061495 | — | — | 1 | 5.07 |
| CHEMBL4077011 | — | — | 1 | 5.00 |
| CHEMBL4102909 | — | — | 1 | 4.92 |
| CHEMBL174367 | — | — | 1 | 4.25 |
| CHEMBL4090030 | — | — | 1 | 4.23 |
| CHEMBL4069211 | — | — | 1 | 4.11 |
| CHEMBL4064978 | — | — | 1 | 4.09 |
| CHEMBL4105658 | — | — | 1 | - |
| CHEMBL4087458 | — | — | 1 | - |
| CHEMBL4091349 | — | — | 1 | - |
| CHEMBL4075324 | — | — | 1 | - |
| CHEMBL4075406 | — | — | 1 | - |
| CHEMBL4088285 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4066078 | — | IC50 | = | 1800.0 | nM | 5.75 |
| CHEMBL4089201 | — | IC50 | = | 2200.0 | nM | 5.66 |
| CHEMBL4090938 | — | IC50 | = | 2500.0 | nM | 5.60 |
| CHEMBL4104728 | — | IC50 | = | 2900.0 | nM | 5.54 |
| CHEMBL4103833 | — | IC50 | = | 5900.0 | nM | 5.23 |
| CHEMBL4063031 | — | IC50 | = | 6600.0 | nM | 5.18 |
| CHEMBL4079577 | — | IC50 | = | 7100.0 | nM | 5.15 |
| CHEMBL4061495 | — | IC50 | = | 8500.0 | nM | 5.07 |
| CHEMBL4077011 | — | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL4102909 | — | IC50 | = | 12000.0 | nM | 4.92 |
| CHEMBL174367 | — | IC50 | = | 56000.0 | nM | 4.25 |
| CHEMBL4090030 | — | IC50 | = | 59000.0 | nM | 4.23 |
| CHEMBL4069211 | — | IC50 | = | 77000.0 | nM | 4.11 |
| CHEMBL4064978 | — | IC50 | = | 81000.0 | nM | 4.09 |
| CHEMBL4105658 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4087458 | — | IC50 | - | — | - | |
| CHEMBL4091349 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4075324 | — | IC50 | > | 10000.0 | nM | - |
| CHEMBL4075406 | — | IC50 | = | 127000.0 | nM | - |
| CHEMBL4088285 | — | IC50 | = | 144000.0 | nM | - |