Assay Detail
Binding
CHEMBL1762939
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Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay
36
Total Activities
36
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| 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 | 5.24 | 7.92 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 7.92 |
| CHEMBL1762669 | — | — | 1 | 6.35 |
| CHEMBL1762664 | — | — | 1 | 5.71 |
| CHEMBL1762665 | — | — | 1 | 5.69 |
| CHEMBL449635 | — | — | 1 | 5.66 |
| CHEMBL1762667 | — | — | 1 | 5.66 |
| CHEMBL1762666 | — | — | 1 | 5.58 |
| CHEMBL1762651 | — | — | 1 | 5.48 |
| CHEMBL1762663 | — | — | 1 | 5.48 |
| CHEMBL1081233 | — | — | 1 | 5.46 |
| CHEMBL1762668 | METHYL 4-METHOXYBENZOATE | — | 1 | 5.45 |
| CHEMBL1762652 | — | — | 1 | 5.42 |
| CHEMBL1762662 | — | — | 1 | 5.36 |
| CHEMBL1762653 | — | — | 1 | 5.33 |
| CHEMBL1588015 | — | — | 1 | 5.24 |
| CHEMBL1762654 | — | — | 1 | 5.23 |
| CHEMBL1762660 | — | — | 1 | 5.17 |
| CHEMBL1762656 | — | — | 1 | 5.14 |
| CHEMBL1762661 | — | — | 1 | 5.14 |
| CHEMBL21932 | p-ANISIC ACID | — | 1 | 5.09 |
| CHEMBL1762658 | AMINOBENZOATE SODIUM | -1.0 | 1 | 5.09 |
| CHEMBL1762657 | — | — | 1 | 5.09 |
| CHEMBL1762655 | — | — | 1 | 5.07 |
| CHEMBL1762659 | — | — | 1 | 5.06 |
| CHEMBL1762650 | — | — | 1 | 4.08 |
| CHEMBL1162485 | 2-ETHYLHEXANOIC ACID | — | 1 | 4.03 |
| CHEMBL1762647 | — | — | 1 | 4.03 |
| CHEMBL1762649 | — | — | 1 | 4.02 |
| CHEMBL1762642 | SODIUM ISOVALERATE | — | 1 | 4.00 |
| CHEMBL1762641 | SODIUM ISOBUTYRATE | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL20 | ACETAZOLAMIDE | Ki | = | 12.0 | nM | 7.92 |
| CHEMBL1762669 | — | Ki | = | 450.0 | nM | 6.35 |
| CHEMBL1762664 | — | Ki | = | 1960.0 | nM | 5.71 |
| CHEMBL1762665 | — | Ki | = | 2050.0 | nM | 5.69 |
| CHEMBL449635 | — | Ki | = | 2180.0 | nM | 5.66 |
| CHEMBL1762667 | — | Ki | = | 2170.0 | nM | 5.66 |
| CHEMBL1762666 | — | Ki | = | 2600.0 | nM | 5.58 |
| CHEMBL1762651 | — | Ki | = | 3340.0 | nM | 5.48 |
| CHEMBL1762663 | — | Ki | = | 3330.0 | nM | 5.48 |
| CHEMBL1081233 | — | Ki | = | 3450.0 | nM | 5.46 |
| CHEMBL1762668 | METHYL 4-METHOXYBENZOATE | Ki | = | 3530.0 | nM | 5.45 |
| CHEMBL1762652 | — | Ki | = | 3810.0 | nM | 5.42 |
| CHEMBL1762662 | — | Ki | = | 4360.0 | nM | 5.36 |
| CHEMBL1762653 | — | Ki | = | 4700.0 | nM | 5.33 |
| CHEMBL1588015 | — | Ki | = | 5750.0 | nM | 5.24 |
| CHEMBL1762654 | — | Ki | = | 5850.0 | nM | 5.23 |
| CHEMBL1762660 | — | Ki | = | 6790.0 | nM | 5.17 |
| CHEMBL1762661 | — | Ki | = | 7280.0 | nM | 5.14 |
| CHEMBL1762656 | — | Ki | = | 7280.0 | nM | 5.14 |
| CHEMBL21932 | p-ANISIC ACID | Ki | = | 8030.0 | nM | 5.09 |
| CHEMBL1762658 | AMINOBENZOATE SODIUM | Ki | = | 8130.0 | nM | 5.09 |
| CHEMBL1762657 | — | Ki | = | 8030.0 | nM | 5.09 |
| CHEMBL1762655 | — | Ki | = | 8560.0 | nM | 5.07 |
| CHEMBL1762659 | — | Ki | = | 8630.0 | nM | 5.06 |
| CHEMBL1762650 | — | Ki | = | 83000.0 | nM | 4.08 |
| CHEMBL1162485 | 2-ETHYLHEXANOIC ACID | Ki | = | 93000.0 | nM | 4.03 |
| CHEMBL1762647 | — | Ki | = | 93000.0 | nM | 4.03 |
| CHEMBL1762649 | — | Ki | = | 96000.0 | nM | 4.02 |
| CHEMBL1762642 | SODIUM ISOVALERATE | Ki | = | 100000.0 | nM | 4.00 |
| CHEMBL1762641 | SODIUM ISOBUTYRATE | Ki | = | 350000.0 | nM | - |
| CHEMBL1762648 | — | Ki | = | 110000.0 | nM | - |
| CHEMBL1762646 | — | Ki | = | 112000.0 | nM | - |
| CHEMBL1762645 | — | Ki | = | 103000.0 | nM | - |
| CHEMBL1762644 | — | Ki | = | 320000.0 | nM | - |
| CHEMBL1762643 | — | Ki | = | 281000.0 | nM | - |
| CHEMBL12569 | — | Ki | = | 113000.0 | nM | - |