Assay Detail
Binding
CHEMBL1762940
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Inhibition of Cryptococcus neoformans Can2 beta-carbonic anhydrase by stopped flow CO2 hydration assay
36
Total Activities
36
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Cryptococcus neoformans |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 36 | 6.25 | 8.02 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1762656 | — | — | 1 | 8.02 |
| CHEMBL21932 | p-ANISIC ACID | — | 1 | 8.00 |
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 8.00 |
| CHEMBL1762657 | — | — | 1 | 8.00 |
| CHEMBL449635 | — | — | 1 | 7.21 |
| CHEMBL1762668 | METHYL 4-METHOXYBENZOATE | — | 1 | 7.17 |
| CHEMBL1762669 | — | — | 1 | 7.15 |
| CHEMBL1588015 | — | — | 1 | 7.06 |
| CHEMBL1762658 | AMINOBENZOATE SODIUM | -1.0 | 1 | 6.92 |
| CHEMBL1762664 | — | — | 1 | 6.92 |
| CHEMBL1762655 | — | — | 1 | 6.92 |
| CHEMBL1762651 | — | — | 1 | 6.89 |
| CHEMBL1762663 | — | — | 1 | 6.89 |
| CHEMBL1762660 | — | — | 1 | 6.85 |
| CHEMBL1762667 | — | — | 1 | 6.64 |
| CHEMBL1762666 | — | — | 1 | 6.54 |
| CHEMBL1762661 | — | — | 1 | 6.50 |
| CHEMBL1081233 | — | — | 1 | 6.41 |
| CHEMBL1762665 | — | — | 1 | 6.13 |
| CHEMBL1762646 | — | — | 1 | 6.10 |
| CHEMBL1762642 | SODIUM ISOVALERATE | — | 1 | 6.04 |
| CHEMBL1762647 | — | — | 1 | 6.02 |
| CHEMBL1162485 | 2-ETHYLHEXANOIC ACID | — | 1 | 6.02 |
| CHEMBL1762659 | — | — | 1 | 5.51 |
| CHEMBL1762645 | — | — | 1 | 5.49 |
| CHEMBL1762652 | — | — | 1 | 5.47 |
| CHEMBL1762662 | — | — | 1 | 5.44 |
| CHEMBL1762641 | SODIUM ISOBUTYRATE | — | 1 | 5.42 |
| CHEMBL1762653 | — | — | 1 | 5.37 |
| CHEMBL1762650 | — | — | 1 | 5.29 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1762656 | — | Ki | = | 9.5 | nM | 8.02 |
| CHEMBL21932 | p-ANISIC ACID | Ki | = | 9.9 | nM | 8.00 |
| CHEMBL1762657 | — | Ki | = | 9.9 | nM | 8.00 |
| CHEMBL20 | ACETAZOLAMIDE | Ki | = | 10.0 | nM | 8.00 |
| CHEMBL449635 | — | Ki | = | 62.0 | nM | 7.21 |
| CHEMBL1762668 | METHYL 4-METHOXYBENZOATE | Ki | = | 67.0 | nM | 7.17 |
| CHEMBL1762669 | — | Ki | = | 71.0 | nM | 7.15 |
| CHEMBL1588015 | — | Ki | = | 87.0 | nM | 7.06 |
| CHEMBL1762658 | AMINOBENZOATE SODIUM | Ki | = | 120.0 | nM | 6.92 |
| CHEMBL1762664 | — | Ki | = | 120.0 | nM | 6.92 |
| CHEMBL1762655 | — | Ki | = | 120.0 | nM | 6.92 |
| CHEMBL1762651 | — | Ki | = | 130.0 | nM | 6.89 |
| CHEMBL1762663 | — | Ki | = | 130.0 | nM | 6.89 |
| CHEMBL1762660 | — | Ki | = | 140.0 | nM | 6.85 |
| CHEMBL1762667 | — | Ki | = | 230.0 | nM | 6.64 |
| CHEMBL1762666 | — | Ki | = | 290.0 | nM | 6.54 |
| CHEMBL1762661 | — | Ki | = | 320.0 | nM | 6.50 |
| CHEMBL1081233 | — | Ki | = | 390.0 | nM | 6.41 |
| CHEMBL1762665 | — | Ki | = | 740.0 | nM | 6.13 |
| CHEMBL1762646 | — | Ki | = | 800.0 | nM | 6.10 |
| CHEMBL1762642 | SODIUM ISOVALERATE | Ki | = | 910.0 | nM | 6.04 |
| CHEMBL1762647 | — | Ki | = | 950.0 | nM | 6.02 |
| CHEMBL1162485 | 2-ETHYLHEXANOIC ACID | Ki | = | 950.0 | nM | 6.02 |
| CHEMBL1762659 | — | Ki | = | 3060.0 | nM | 5.51 |
| CHEMBL1762645 | — | Ki | = | 3230.0 | nM | 5.49 |
| CHEMBL1762652 | — | Ki | = | 3400.0 | nM | 5.47 |
| CHEMBL1762662 | — | Ki | = | 3650.0 | nM | 5.44 |
| CHEMBL1762641 | SODIUM ISOBUTYRATE | Ki | = | 3810.0 | nM | 5.42 |
| CHEMBL1762653 | — | Ki | = | 4240.0 | nM | 5.37 |
| CHEMBL1762650 | — | Ki | = | 5180.0 | nM | 5.29 |
| CHEMBL1762644 | — | Ki | = | 5330.0 | nM | 5.27 |
| CHEMBL1762654 | — | Ki | = | 5460.0 | nM | 5.26 |
| CHEMBL12569 | — | Ki | = | 10200.0 | nM | 4.99 |
| CHEMBL1762643 | — | Ki | = | 34900.0 | nM | 4.46 |
| CHEMBL1762648 | — | Ki | = | 39300.0 | nM | 4.41 |
| CHEMBL1762649 | — | Ki | = | 41200.0 | nM | 4.38 |