Assay Detail
Binding
CHEMBL4136405
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Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Cryptococcus neoformans |
| Confidence | 8 — Homologous single protein target |
| Curated By | Intermediate |
Target
Carbonic anhydrase 2 (CHEMBL1697676) ↗| Type | SINGLE PROTEIN |
| Organism | Cryptococcus neoformans var. grubii |
Publication
Benzoxaboroles as Efficient Inhibitors of the β-Carbonic Anhydrases from Pathogenic Fungi: Activity and Modeling Study.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 25 | 6.83 | 8.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 8.00 |
| CHEMBL4171057 | — | — | 1 | 7.19 |
| CHEMBL4172094 | — | — | 1 | 7.14 |
| CHEMBL4177136 | — | — | 1 | 7.11 |
| CHEMBL4159776 | — | — | 1 | 7.10 |
| CHEMBL4163368 | — | — | 1 | 7.09 |
| CHEMBL4161495 | — | — | 1 | 7.08 |
| CHEMBL4173293 | — | — | 1 | 7.07 |
| CHEMBL4175131 | — | — | 1 | 7.06 |
| CHEMBL443052 | TAVABOROLE | 4.0 | 1 | 7.05 |
| CHEMBL4164241 | — | — | 1 | 7.05 |
| CHEMBL4174083 | — | — | 1 | 7.04 |
| CHEMBL4167266 | — | — | 1 | 7.03 |
| CHEMBL378506 | BENZOXABOROLE | — | 1 | 6.76 |
| CHEMBL4174497 | — | — | 1 | 6.74 |
| CHEMBL4176682 | — | — | 1 | 6.70 |
| CHEMBL4166184 | — | — | 1 | 6.63 |
| CHEMBL4163139 | — | — | 1 | 6.61 |
| CHEMBL4166065 | — | — | 1 | 6.56 |
| CHEMBL4166821 | — | — | 1 | 6.55 |
| CHEMBL4170654 | — | — | 1 | 6.40 |
| CHEMBL4167691 | — | — | 1 | 6.27 |
| CHEMBL4174896 | — | — | 1 | 6.24 |
| CHEMBL4160012 | — | — | 1 | 6.22 |
| CHEMBL4166580 | — | — | 1 | 6.17 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL20 | ACETAZOLAMIDE | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL4171057 | — | Ki | = | 65.0 | nM | 7.19 |
| CHEMBL4172094 | — | Ki | = | 73.0 | nM | 7.14 |
| CHEMBL4177136 | — | Ki | = | 78.0 | nM | 7.11 |
| CHEMBL4159776 | — | Ki | = | 79.0 | nM | 7.10 |
| CHEMBL4163368 | — | Ki | = | 81.0 | nM | 7.09 |
| CHEMBL4161495 | — | Ki | = | 84.0 | nM | 7.08 |
| CHEMBL4173293 | — | Ki | = | 86.0 | nM | 7.07 |
| CHEMBL4175131 | — | Ki | = | 88.0 | nM | 7.06 |
| CHEMBL443052 | TAVABOROLE | Ki | = | 89.0 | nM | 7.05 |
| CHEMBL4164241 | — | Ki | = | 89.0 | nM | 7.05 |
| CHEMBL4174083 | — | Ki | = | 92.0 | nM | 7.04 |
| CHEMBL4167266 | — | Ki | = | 93.0 | nM | 7.03 |
| CHEMBL378506 | BENZOXABOROLE | Ki | = | 174.0 | nM | 6.76 |
| CHEMBL4174497 | — | Ki | = | 181.0 | nM | 6.74 |
| CHEMBL4176682 | — | Ki | = | 198.0 | nM | 6.70 |
| CHEMBL4166184 | — | Ki | = | 236.0 | nM | 6.63 |
| CHEMBL4163139 | — | Ki | = | 248.0 | nM | 6.61 |
| CHEMBL4166065 | — | Ki | = | 275.0 | nM | 6.56 |
| CHEMBL4166821 | — | Ki | = | 283.0 | nM | 6.55 |
| CHEMBL4170654 | — | Ki | = | 400.0 | nM | 6.40 |
| CHEMBL4167691 | — | Ki | = | 537.0 | nM | 6.27 |
| CHEMBL4174896 | — | Ki | = | 573.0 | nM | 6.24 |
| CHEMBL4160012 | — | Ki | = | 602.0 | nM | 6.22 |
| CHEMBL4166580 | — | Ki | = | 676.0 | nM | 6.17 |