Assay Detail
Binding
CHEMBL5734786
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; 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.
1497
Total Activities
489
Compounds Tested
3
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Metallo-beta-lactamase inhibitors
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 499 | 9.15 | 10.39 |
| kon | 499 | - | - |
| k_off | 499 | - | - |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL5896565 | — | — | 3 | 10.39 |
| CHEMBL5978463 | — | — | 3 | 10.27 |
| CHEMBL5783023 | — | — | 3 | 10.20 |
| CHEMBL5948943 | — | — | 3 | 10.19 |
| CHEMBL5752738 | — | — | 3 | 10.12 |
| CHEMBL5846127 | — | — | 3 | 10.12 |
| CHEMBL5795556 | — | — | 3 | 10.12 |
| CHEMBL5838107 | — | — | 3 | 10.11 |
| CHEMBL6021062 | — | — | 3 | 9.99 |
| CHEMBL5822304 | — | — | 3 | 9.99 |
| CHEMBL6042827 | — | — | 3 | 9.99 |
| CHEMBL5884945 | — | — | 3 | 9.98 |
| CHEMBL5873426 | — | — | 3 | 9.96 |
| CHEMBL5772829 | — | — | 3 | 9.96 |
| CHEMBL5798629 | — | — | 3 | 9.96 |
| CHEMBL5828798 | — | — | 3 | 9.92 |
| CHEMBL5822701 | — | — | 3 | 9.91 |
| CHEMBL5823831 | — | — | 3 | 9.89 |
| CHEMBL6016686 | — | — | 3 | 9.89 |
| CHEMBL5796881 | — | — | 3 | 9.89 |
| CHEMBL5797712 | — | — | 3 | 9.89 |
| CHEMBL5778221 | — | — | 3 | 9.88 |
| CHEMBL5928719 | — | — | 3 | 9.87 |
| CHEMBL5823930 | — | — | 3 | 9.85 |
| CHEMBL5769124 | — | — | 3 | 9.85 |
| CHEMBL5833774 | — | — | 3 | 9.83 |
| CHEMBL5747830 | — | — | 3 | 9.83 |
| CHEMBL6004503 | — | — | 3 | 9.81 |
| CHEMBL5960952 | — | — | 3 | 9.81 |
| CHEMBL5835243 | — | — | 3 | 9.80 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL5896565 | — | IC50 | = | 0.041 | nM | 10.39 |
| CHEMBL5978463 | — | IC50 | = | 0.054 | nM | 10.27 |
| CHEMBL5783023 | — | IC50 | = | 0.063 | nM | 10.20 |
| CHEMBL5948943 | — | IC50 | = | 0.065 | nM | 10.19 |
| CHEMBL5795556 | — | IC50 | = | 0.076 | nM | 10.12 |
| CHEMBL5752738 | — | IC50 | = | 0.075 | nM | 10.12 |
| CHEMBL5846127 | — | IC50 | = | 0.075 | nM | 10.12 |
| CHEMBL5838107 | — | IC50 | = | 0.077 | nM | 10.11 |
| CHEMBL6021062 | — | IC50 | = | 0.102 | nM | 9.99 |
| CHEMBL5822304 | — | IC50 | = | 0.102 | nM | 9.99 |
| CHEMBL6042827 | — | IC50 | = | 0.103 | nM | 9.99 |
| CHEMBL5884945 | — | IC50 | = | 0.105 | nM | 9.98 |
| CHEMBL5772829 | — | IC50 | = | 0.11 | nM | 9.96 |
| CHEMBL5798629 | — | IC50 | = | 0.111 | nM | 9.96 |
| CHEMBL5873426 | — | IC50 | = | 0.109 | nM | 9.96 |
| CHEMBL5828798 | — | IC50 | = | 0.12 | nM | 9.92 |
| CHEMBL5822701 | — | IC50 | = | 0.122 | nM | 9.91 |
| CHEMBL6016686 | — | IC50 | = | 0.129 | nM | 9.89 |
| CHEMBL5797712 | — | IC50 | = | 0.13 | nM | 9.89 |
| CHEMBL5823831 | — | IC50 | = | 0.129 | nM | 9.89 |
| CHEMBL5796881 | — | IC50 | = | 0.128 | nM | 9.89 |
| CHEMBL5778221 | — | IC50 | = | 0.133 | nM | 9.88 |
| CHEMBL5928719 | — | IC50 | = | 0.134 | nM | 9.87 |
| CHEMBL5769124 | — | IC50 | = | 0.141 | nM | 9.85 |
| CHEMBL5823930 | — | IC50 | = | 0.14 | nM | 9.85 |
| CHEMBL5833774 | — | IC50 | = | 0.147 | nM | 9.83 |
| CHEMBL5747830 | — | IC50 | = | 0.147 | nM | 9.83 |
| CHEMBL6004503 | — | IC50 | = | 0.155 | nM | 9.81 |
| CHEMBL5960952 | — | IC50 | = | 0.156 | nM | 9.81 |
| CHEMBL5764379 | — | IC50 | = | 0.157 | nM | 9.80 |
| CHEMBL5867115 | — | IC50 | = | 0.158 | nM | 9.80 |
| CHEMBL5835243 | — | IC50 | = | 0.16 | nM | 9.80 |
| CHEMBL5837337 | — | IC50 | = | 0.164 | nM | 9.79 |
| CHEMBL5883520 | — | IC50 | = | 0.166 | nM | 9.78 |
| CHEMBL5931036 | — | IC50 | = | 0.165 | nM | 9.78 |
| CHEMBL6019423 | — | IC50 | = | 0.171 | nM | 9.77 |
| CHEMBL5768633 | — | IC50 | = | 0.169 | nM | 9.77 |
| CHEMBL5896553 | — | IC50 | = | 0.17 | nM | 9.77 |
| CHEMBL6006748 | — | IC50 | = | 0.171 | nM | 9.77 |
| CHEMBL6004265 | — | IC50 | = | 0.172 | nM | 9.76 |
| CHEMBL5832081 | — | IC50 | = | 0.173 | nM | 9.76 |
| CHEMBL5807791 | — | IC50 | = | 0.173 | nM | 9.76 |
| CHEMBL5928292 | — | IC50 | = | 0.177 | nM | 9.75 |
| CHEMBL5849105 | — | IC50 | = | 0.176 | nM | 9.75 |
| CHEMBL5793080 | — | IC50 | = | 0.184 | nM | 9.73 |
| CHEMBL5834004 | — | IC50 | = | 0.191 | nM | 9.72 |
| CHEMBL5910781 | — | IC50 | = | 0.195 | nM | 9.71 |
| CHEMBL5743825 | — | IC50 | = | 0.193 | nM | 9.71 |
| CHEMBL5762534 | — | IC50 | = | 0.198 | nM | 9.70 |
| CHEMBL5754605 | — | IC50 | = | 0.2 | nM | 9.70 |