Assay Detail
ADMET
CHEMBL4731733
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Inhibition of human carbonic anhydrase 2 incubated for 30 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-flow CO2 hydration assay
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Benzoxaboroles: New Potent Inhibitors of the Carbonic Anhydrases of the Pathogenic Bacterium Vibrio cholerae.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 25 | 6.17 | 7.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 7.92 |
| CHEMBL4746021 | — | — | 1 | 7.05 |
| CHEMBL4172094 | — | — | 1 | 6.57 |
| CHEMBL4170654 | — | — | 1 | 6.56 |
| CHEMBL4160012 | — | — | 1 | 6.36 |
| CHEMBL4161495 | — | — | 1 | 6.34 |
| CHEMBL443052 | TAVABOROLE | 4.0 | 1 | 6.33 |
| CHEMBL4177136 | — | — | 1 | 6.32 |
| CHEMBL4175131 | — | — | 1 | 6.30 |
| CHEMBL4167266 | — | — | 1 | 6.23 |
| CHEMBL4174083 | — | — | 1 | 6.15 |
| CHEMBL4163368 | — | — | 1 | 6.14 |
| CHEMBL4171057 | — | — | 1 | 6.10 |
| CHEMBL4166821 | — | — | 1 | 6.08 |
| CHEMBL4174896 | — | — | 1 | 5.94 |
| CHEMBL4174497 | — | — | 1 | 5.90 |
| CHEMBL4164241 | — | — | 1 | 5.90 |
| CHEMBL4757712 | — | — | 1 | 5.88 |
| CHEMBL4173293 | — | — | 1 | 5.82 |
| CHEMBL4166580 | — | — | 1 | 5.81 |
| CHEMBL4176682 | — | — | 1 | 5.79 |
| CHEMBL4166065 | — | — | 1 | 5.74 |
| CHEMBL4166184 | — | — | 1 | 5.65 |
| CHEMBL378506 | BENZOXABOROLE | — | 1 | 5.09 |
| CHEMBL4159776 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL20 | ACETAZOLAMIDE | Ki | = | 12.0 | nM | 7.92 |
| CHEMBL4746021 | — | Ki | = | 89.0 | nM | 7.05 |
| CHEMBL4172094 | — | Ki | = | 272.0 | nM | 6.57 |
| CHEMBL4170654 | — | Ki | = | 276.0 | nM | 6.56 |
| CHEMBL4160012 | — | Ki | = | 439.0 | nM | 6.36 |
| CHEMBL4161495 | — | Ki | = | 456.0 | nM | 6.34 |
| CHEMBL443052 | TAVABOROLE | Ki | = | 462.0 | nM | 6.33 |
| CHEMBL4177136 | — | Ki | = | 480.0 | nM | 6.32 |
| CHEMBL4175131 | — | Ki | = | 504.0 | nM | 6.30 |
| CHEMBL4167266 | — | Ki | = | 590.0 | nM | 6.23 |
| CHEMBL4174083 | — | Ki | = | 707.0 | nM | 6.15 |
| CHEMBL4163368 | — | Ki | = | 730.0 | nM | 6.14 |
| CHEMBL4171057 | — | Ki | = | 797.0 | nM | 6.10 |
| CHEMBL4166821 | — | Ki | = | 841.0 | nM | 6.08 |
| CHEMBL4174896 | — | Ki | = | 1148.0 | nM | 5.94 |
| CHEMBL4174497 | — | Ki | = | 1253.0 | nM | 5.90 |
| CHEMBL4164241 | — | Ki | = | 1250.0 | nM | 5.90 |
| CHEMBL4757712 | — | Ki | = | 1305.0 | nM | 5.88 |
| CHEMBL4173293 | — | Ki | = | 1500.0 | nM | 5.82 |
| CHEMBL4166580 | — | Ki | = | 1547.0 | nM | 5.81 |
| CHEMBL4176682 | — | Ki | = | 1625.0 | nM | 5.79 |
| CHEMBL4166065 | — | Ki | = | 1838.0 | nM | 5.74 |
| CHEMBL4166184 | — | Ki | = | 2230.0 | nM | 5.65 |
| CHEMBL378506 | BENZOXABOROLE | Ki | = | 8180.0 | nM | 5.09 |
| CHEMBL4159776 | — | Ki | > | 10000.0 | nM | - |