Assay Detail
Binding
CHEMBL5117446
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Inhibition of bacterial beta-lactamase KPC-2 expressed in Escherichia coli BL21 (DE3) using nitrocefin as substrate assessed as inhibition constant by Cheng-Prusoff equation analysis
43
Total Activities
43
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Bacteria |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Triazole-substituted phenylboronic acids as tunable lead inhibitors of KPC-2 antibiotic resistance.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 43 | 6.24 | 7.50 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4126203 | — | — | 1 | 7.50 |
| CHEMBL5180047 | — | — | 1 | 7.42 |
| CHEMBL4128268 | — | — | 1 | 7.17 |
| CHEMBL4129606 | — | — | 1 | 6.78 |
| CHEMBL4129250 | — | — | 1 | 6.66 |
| CHEMBL4127033 | — | — | 1 | 6.64 |
| CHEMBL5174043 | — | — | 1 | 6.62 |
| CHEMBL4125936 | — | — | 1 | 6.56 |
| CHEMBL5179556 | — | — | 1 | 6.55 |
| CHEMBL4128411 | — | — | 1 | 6.49 |
| CHEMBL5202484 | — | — | 1 | 6.39 |
| CHEMBL5193460 | — | — | 1 | 6.36 |
| CHEMBL5169823 | — | — | 1 | 6.35 |
| CHEMBL4128239 | — | — | 1 | 6.32 |
| CHEMBL4128815 | — | — | 1 | 6.31 |
| CHEMBL5199663 | — | — | 1 | 6.29 |
| CHEMBL5176711 | — | — | 1 | 6.24 |
| CHEMBL5208379 | — | — | 1 | 6.18 |
| CHEMBL5203852 | — | — | 1 | 6.15 |
| CHEMBL5209538 | — | — | 1 | 6.10 |
| CHEMBL4127755 | — | — | 1 | 6.08 |
| CHEMBL4128933 | — | — | 1 | 6.07 |
| CHEMBL5207289 | — | — | 1 | 6.06 |
| CHEMBL5182560 | — | — | 1 | 6.05 |
| CHEMBL5195289 | — | — | 1 | 5.99 |
| CHEMBL20945 | — | — | 1 | 5.82 |
| CHEMBL5195129 | — | — | 1 | 5.74 |
| CHEMBL5182644 | — | — | 1 | 5.54 |
| CHEMBL5203033 | — | — | 1 | 5.23 |
| CHEMBL5179376 | — | — | 1 | 5.11 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4126203 | — | Ki | = | 32.0 | nM | 7.50 |
| CHEMBL5180047 | — | Ki | = | 38.0 | nM | 7.42 |
| CHEMBL4128268 | — | Ki | = | 67.0 | nM | 7.17 |
| CHEMBL4129606 | — | Ki | = | 166.0 | nM | 6.78 |
| CHEMBL4129250 | — | Ki | = | 219.0 | nM | 6.66 |
| CHEMBL4127033 | — | Ki | = | 227.0 | nM | 6.64 |
| CHEMBL5174043 | — | Ki | = | 240.0 | nM | 6.62 |
| CHEMBL4125936 | — | Ki | = | 275.0 | nM | 6.56 |
| CHEMBL5179556 | — | Ki | = | 280.0 | nM | 6.55 |
| CHEMBL4128411 | — | Ki | = | 323.0 | nM | 6.49 |
| CHEMBL5202484 | — | Ki | = | 410.0 | nM | 6.39 |
| CHEMBL5193460 | — | Ki | = | 440.0 | nM | 6.36 |
| CHEMBL5169823 | — | Ki | = | 450.0 | nM | 6.35 |
| CHEMBL4128239 | — | Ki | = | 480.0 | nM | 6.32 |
| CHEMBL4128815 | — | Ki | = | 493.0 | nM | 6.31 |
| CHEMBL5199663 | — | Ki | = | 515.0 | nM | 6.29 |
| CHEMBL5176711 | — | Ki | = | 570.0 | nM | 6.24 |
| CHEMBL5208379 | — | Ki | = | 660.0 | nM | 6.18 |
| CHEMBL5203852 | — | Ki | = | 710.0 | nM | 6.15 |
| CHEMBL5209538 | — | Ki | = | 800.0 | nM | 6.10 |
| CHEMBL4127755 | — | Ki | = | 830.0 | nM | 6.08 |
| CHEMBL4128933 | — | Ki | = | 860.0 | nM | 6.07 |
| CHEMBL5207289 | — | Ki | = | 870.0 | nM | 6.06 |
| CHEMBL5182560 | — | Ki | = | 900.0 | nM | 6.05 |
| CHEMBL5195289 | — | Ki | = | 1020.0 | nM | 5.99 |
| CHEMBL20945 | — | Ki | = | 1500.0 | nM | 5.82 |
| CHEMBL5195129 | — | Ki | = | 1840.0 | nM | 5.74 |
| CHEMBL5182644 | — | Ki | = | 2900.0 | nM | 5.54 |
| CHEMBL5203033 | — | Ki | = | 5900.0 | nM | 5.23 |
| CHEMBL5179376 | — | Ki | = | 7800.0 | nM | 5.11 |
| CHEMBL5185524 | — | Ki | = | 27200.0 | nM | 4.57 |
| CHEMBL4125799 | — | Ki | - | — | - | |
| CHEMBL4127175 | — | Ki | - | — | - | |
| CHEMBL5204823 | — | Ki | - | — | - | |
| CHEMBL5182763 | — | Ki | - | — | - | |
| CHEMBL4129642 | — | Ki | - | — | - | |
| CHEMBL4129498 | — | Ki | - | — | - | |
| CHEMBL5201739 | — | Ki | - | — | - | |
| CHEMBL5189022 | — | Ki | - | — | - | |
| CHEMBL5206627 | — | Ki | - | — | - | |
| CHEMBL5170829 | — | Ki | - | — | - | |
| CHEMBL5189199 | — | Ki | - | — | - | |
| CHEMBL5202741 | — | Ki | - | — | - |