Assay Detail
Binding
CHEMBL5737678
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Enzyme Activity: Determination of IC50 : The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate consisting of a cephalosporin core linking 7-hydroxycoumarin to fluorescein (CCF2-FA). The enzyme (NDM-1, IMP-1 or VIM-1) and the substrate were diluted in 100 mM KH2PO4 buffer (pH 7) containing 0.005% Tween-20 and 10 μM ZnSO4. In the assay, the final concentration of enzyme was 1 pM, 2 pM and 30 pM for NDM-1, IMP-1 and VIM-1, respectively, and the final concentration of CCF2-FA was 1.25 μM. The test inhibitor was dissolved in dimethylsulfoxide and diluted 1:50 in the assay, resulting in a final concentration range of 20 μM to 0.00063 μM. In a 384-well microplate, the test inhibitor was incubated with the metallo-β-lactamase enzyme and the substrate for 2 hours at 25° C. Fluorescence at 460 nm following excitation at 405 nm was measured. The IC50 value was determined from semi-logarithmic plots of enzyme inhibition versus inhibitor concentration, with a curve generated using a 4-parameter fit.
627
Total Activities
202
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Autocuration |
Publication
Metallo-beta-lactamase inhibitors and methods of use thereof
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 209 | 8.60 | 10.22 |
| kon | 209 | - | - |
| k_off | 209 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5892778 | — | — | 3 | 10.22 |
| CHEMBL5909157 | — | — | 3 | 10.22 |
| CHEMBL5796069 | — | — | 3 | 10.22 |
| CHEMBL5892474 | — | — | 3 | 10.15 |
| CHEMBL5827537 | — | — | 3 | 10.10 |
| CHEMBL5767480 | — | — | 9 | 10.10 |
| CHEMBL5848005 | — | — | 3 | 10.10 |
| CHEMBL5984667 | — | — | 3 | 10.10 |
| CHEMBL6025496 | — | — | 3 | 9.92 |
| CHEMBL5763226 | — | — | 3 | 9.89 |
| CHEMBL5992355 | — | — | 3 | 9.80 |
| CHEMBL5995352 | — | — | 3 | 9.77 |
| CHEMBL6020039 | — | — | 3 | 9.77 |
| CHEMBL5856136 | — | — | 3 | 9.74 |
| CHEMBL5970406 | — | — | 3 | 9.72 |
| CHEMBL5927974 | — | — | 3 | 9.68 |
| CHEMBL5752736 | — | — | 3 | 9.68 |
| CHEMBL5780567 | — | — | 3 | 9.64 |
| CHEMBL5818054 | — | — | 3 | 9.62 |
| CHEMBL5877117 | — | — | 3 | 9.60 |
| CHEMBL5747256 | — | — | 3 | 9.60 |
| CHEMBL5935773 | — | — | 3 | 9.60 |
| CHEMBL5886260 | — | — | 3 | 9.59 |
| CHEMBL5745298 | — | — | 3 | 9.57 |
| CHEMBL5754822 | — | — | 3 | 9.52 |
| CHEMBL5977231 | — | — | 3 | 9.52 |
| CHEMBL5855389 | — | — | 3 | 9.51 |
| CHEMBL5825947 | — | — | 3 | 9.48 |
| CHEMBL5806114 | — | — | 3 | 9.46 |
| CHEMBL5941908 | — | — | 3 | 9.44 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5892778 | — | IC50 | = | 0.06 | nM | 10.22 |
| CHEMBL5796069 | — | IC50 | = | 0.06 | nM | 10.22 |
| CHEMBL5909157 | — | IC50 | = | 0.06 | nM | 10.22 |
| CHEMBL5892474 | — | IC50 | = | 0.07 | nM | 10.15 |
| CHEMBL5984667 | — | IC50 | = | 0.08 | nM | 10.10 |
| CHEMBL5848005 | — | IC50 | = | 0.08 | nM | 10.10 |
| CHEMBL5767480 | — | IC50 | = | 0.08 | nM | 10.10 |
| CHEMBL5827537 | — | IC50 | = | 0.08 | nM | 10.10 |
| CHEMBL6025496 | — | IC50 | = | 0.12 | nM | 9.92 |
| CHEMBL5763226 | — | IC50 | = | 0.13 | nM | 9.89 |
| CHEMBL5992355 | — | IC50 | = | 0.16 | nM | 9.80 |
| CHEMBL6020039 | — | IC50 | = | 0.17 | nM | 9.77 |
| CHEMBL5995352 | — | IC50 | = | 0.17 | nM | 9.77 |
| CHEMBL5856136 | — | IC50 | = | 0.18 | nM | 9.74 |
| CHEMBL5970406 | — | IC50 | = | 0.19 | nM | 9.72 |
| CHEMBL5752736 | — | IC50 | = | 0.21 | nM | 9.68 |
| CHEMBL5927974 | — | IC50 | = | 0.21 | nM | 9.68 |
| CHEMBL5780567 | — | IC50 | = | 0.23 | nM | 9.64 |
| CHEMBL5818054 | — | IC50 | = | 0.24 | nM | 9.62 |
| CHEMBL5747256 | — | IC50 | = | 0.25 | nM | 9.60 |
| CHEMBL5935773 | — | IC50 | = | 0.25 | nM | 9.60 |
| CHEMBL5877117 | — | IC50 | = | 0.25 | nM | 9.60 |
| CHEMBL5886260 | — | IC50 | = | 0.26 | nM | 9.59 |
| CHEMBL5745298 | — | IC50 | = | 0.27 | nM | 9.57 |
| CHEMBL5754822 | — | IC50 | = | 0.3 | nM | 9.52 |
| CHEMBL5977231 | — | IC50 | = | 0.3 | nM | 9.52 |
| CHEMBL5855389 | — | IC50 | = | 0.31 | nM | 9.51 |
| CHEMBL5825947 | — | IC50 | = | 0.33 | nM | 9.48 |
| CHEMBL5806114 | — | IC50 | = | 0.35 | nM | 9.46 |
| CHEMBL5941908 | — | IC50 | = | 0.36 | nM | 9.44 |
| CHEMBL5958729 | — | IC50 | = | 0.38 | nM | 9.42 |
| CHEMBL5764003 | — | IC50 | = | 0.41 | nM | 9.39 |
| CHEMBL5929685 | — | IC50 | = | 0.42 | nM | 9.38 |
| CHEMBL5949268 | — | IC50 | = | 0.43 | nM | 9.37 |
| CHEMBL5739899 | — | IC50 | = | 0.43 | nM | 9.37 |
| CHEMBL5940214 | — | IC50 | = | 0.44 | nM | 9.36 |
| CHEMBL5815489 | — | IC50 | = | 0.45 | nM | 9.35 |
| CHEMBL6033919 | — | IC50 | = | 0.45 | nM | 9.35 |
| CHEMBL5913156 | — | IC50 | = | 0.45 | nM | 9.35 |
| CHEMBL6050949 | — | IC50 | = | 0.45 | nM | 9.35 |
| CHEMBL5875947 | — | IC50 | = | 0.48 | nM | 9.32 |
| CHEMBL5863615 | — | IC50 | = | 0.48 | nM | 9.32 |
| CHEMBL5886489 | — | IC50 | = | 0.51 | nM | 9.29 |
| CHEMBL5908904 | — | IC50 | = | 0.51 | nM | 9.29 |
| CHEMBL5865991 | — | IC50 | = | 0.53 | nM | 9.28 |
| CHEMBL5860531 | — | IC50 | = | 0.53 | nM | 9.28 |
| CHEMBL5840406 | — | IC50 | = | 0.54 | nM | 9.27 |
| CHEMBL5967625 | — | IC50 | = | 0.56 | nM | 9.25 |
| CHEMBL5810819 | — | IC50 | = | 0.57 | nM | 9.24 |
| CHEMBL5823361 | — | IC50 | = | 0.62 | nM | 9.21 |