Assay Detail
Binding
CHEMBL5733227
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Enzyme Activity: 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; for a review, see: Meine, M.-R.; Llarrull, L. I.; Vila, A. J. Antibiotics, 2014, 3, 285-316) 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.
1137
Total Activities
369
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Metallo-β-lactamase inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 379 | 9.29 | 10.51 |
| kon | 379 | - | - |
| k_off | 379 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5899644 | — | — | 3 | 10.51 |
| CHEMBL5772715 | — | — | 3 | 10.07 |
| CHEMBL5960740 | — | — | 3 | 10.06 |
| CHEMBL5966728 | — | — | 3 | 10.00 |
| CHEMBL5781272 | — | — | 3 | 9.98 |
| CHEMBL6059747 | — | — | 3 | 9.97 |
| CHEMBL5787612 | — | — | 3 | 9.97 |
| CHEMBL6016794 | — | — | 3 | 9.97 |
| CHEMBL5944552 | — | — | 3 | 9.96 |
| CHEMBL5928366 | — | — | 3 | 9.95 |
| CHEMBL5891974 | — | — | 3 | 9.95 |
| CHEMBL5802321 | — | — | 3 | 9.95 |
| CHEMBL5765772 | — | — | 3 | 9.94 |
| CHEMBL5978954 | — | — | 3 | 9.92 |
| CHEMBL5942736 | — | — | 3 | 9.92 |
| CHEMBL6041475 | — | — | 3 | 9.91 |
| CHEMBL5942881 | — | — | 3 | 9.90 |
| CHEMBL6022790 | — | — | 3 | 9.89 |
| CHEMBL6016620 | — | — | 3 | 9.89 |
| CHEMBL5750289 | — | — | 3 | 9.89 |
| CHEMBL5854702 | — | — | 3 | 9.88 |
| CHEMBL5767427 | — | — | 3 | 9.88 |
| CHEMBL5877318 | — | — | 3 | 9.87 |
| CHEMBL6014040 | — | — | 3 | 9.87 |
| CHEMBL5935114 | — | — | 3 | 9.87 |
| CHEMBL5995365 | — | — | 6 | 9.86 |
| CHEMBL5755193 | — | — | 3 | 9.86 |
| CHEMBL6019708 | — | — | 3 | 9.85 |
| CHEMBL5925350 | — | — | 3 | 9.85 |
| CHEMBL5793032 | — | — | 3 | 9.85 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5899644 | — | IC50 | = | 0.031 | nM | 10.51 |
| CHEMBL5772715 | — | IC50 | = | 0.086 | nM | 10.07 |
| CHEMBL5960740 | — | IC50 | = | 0.087 | nM | 10.06 |
| CHEMBL5966728 | — | IC50 | = | 0.099 | nM | 10.00 |
| CHEMBL5781272 | — | IC50 | = | 0.105 | nM | 9.98 |
| CHEMBL6016794 | — | IC50 | = | 0.108 | nM | 9.97 |
| CHEMBL6059747 | — | IC50 | = | 0.106 | nM | 9.97 |
| CHEMBL5787612 | — | IC50 | = | 0.106 | nM | 9.97 |
| CHEMBL5944552 | — | IC50 | = | 0.11 | nM | 9.96 |
| CHEMBL5928366 | — | IC50 | = | 0.113 | nM | 9.95 |
| CHEMBL5802321 | — | IC50 | = | 0.112 | nM | 9.95 |
| CHEMBL5891974 | — | IC50 | = | 0.113 | nM | 9.95 |
| CHEMBL5765772 | — | IC50 | = | 0.116 | nM | 9.94 |
| CHEMBL5942736 | — | IC50 | = | 0.12 | nM | 9.92 |
| CHEMBL5978954 | — | IC50 | = | 0.12 | nM | 9.92 |
| CHEMBL6041475 | — | IC50 | = | 0.123 | nM | 9.91 |
| CHEMBL5942881 | — | IC50 | = | 0.127 | nM | 9.90 |
| CHEMBL6016620 | — | IC50 | = | 0.13 | nM | 9.89 |
| CHEMBL6022790 | — | IC50 | = | 0.129 | nM | 9.89 |
| CHEMBL5750289 | — | IC50 | = | 0.13 | nM | 9.89 |
| CHEMBL5767427 | — | IC50 | = | 0.133 | nM | 9.88 |
| CHEMBL5854702 | — | IC50 | = | 0.131 | nM | 9.88 |
| CHEMBL5877318 | — | IC50 | = | 0.135 | nM | 9.87 |
| CHEMBL5935114 | — | IC50 | = | 0.134 | nM | 9.87 |
| CHEMBL6014040 | — | IC50 | = | 0.136 | nM | 9.87 |
| CHEMBL5995365 | — | IC50 | = | 0.139 | nM | 9.86 |
| CHEMBL5755193 | — | IC50 | = | 0.139 | nM | 9.86 |
| CHEMBL5739777 | — | IC50 | = | 0.14 | nM | 9.85 |
| CHEMBL5925350 | — | IC50 | = | 0.141 | nM | 9.85 |
| CHEMBL6019708 | — | IC50 | = | 0.14 | nM | 9.85 |
| CHEMBL5793032 | — | IC50 | = | 0.143 | nM | 9.85 |
| CHEMBL5864027 | — | IC50 | = | 0.146 | nM | 9.84 |
| CHEMBL6057818 | — | IC50 | = | 0.145 | nM | 9.84 |
| CHEMBL5946023 | — | IC50 | = | 0.152 | nM | 9.82 |
| CHEMBL5960555 | — | IC50 | = | 0.151 | nM | 9.82 |
| CHEMBL6049499 | — | IC50 | = | 0.153 | nM | 9.81 |
| CHEMBL5851527 | — | IC50 | = | 0.155 | nM | 9.81 |
| CHEMBL6049174 | — | IC50 | = | 0.153 | nM | 9.81 |
| CHEMBL6046246 | — | IC50 | = | 0.159 | nM | 9.80 |
| CHEMBL5884945 | — | IC50 | = | 0.16 | nM | 9.80 |
| CHEMBL5818799 | — | IC50 | = | 0.158 | nM | 9.80 |
| CHEMBL5900797 | — | IC50 | = | 0.162 | nM | 9.79 |
| CHEMBL5980038 | — | IC50 | = | 0.162 | nM | 9.79 |
| CHEMBL5798814 | — | IC50 | = | 0.164 | nM | 9.79 |
| CHEMBL5902182 | — | IC50 | = | 0.165 | nM | 9.78 |
| CHEMBL5789944 | — | IC50 | = | 0.168 | nM | 9.78 |
| CHEMBL5968845 | — | IC50 | = | 0.167 | nM | 9.78 |
| CHEMBL5855562 | — | IC50 | = | 0.171 | nM | 9.77 |
| CHEMBL6026596 | — | IC50 | = | 0.169 | nM | 9.77 |
| CHEMBL5857033 | — | IC50 | = | 0.172 | nM | 9.76 |