Assay Detail
Binding
CHEMBL828816
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Inhibitory constant against carbonic anhydrase I
19
Total Activities
17
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Expert |
Publication
Carbonic anhydrase inhibitors. Inhibition of the beta-class enzyme from the methanoarchaeon Methanobacterium thermoautotrophicum (Cab) with anions.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 19 | 5.86 | 6.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL183419 | CYANIDE | — | 1 | 6.30 |
| CHEMBL1200739 | HYDROGEN SULFIDE | — | 1 | 6.22 |
| CHEMBL185198 | CYNOOXIDE ANION | — | 1 | 6.16 |
| CHEMBL186537 | — | — | 1 | 5.92 |
| CHEMBL68253 | SULFAMATE | — | 1 | 4.70 |
| CHEMBL1231821 | HYDROCHLORIC ACID | -1.0 | 1 | - |
| CHEMBL1231461 | BROMIDE | — | 1 | - |
| CHEMBL1233550 | IODIDE | -1.0 | 1 | - |
| CHEMBL2373151 | OXO(PHENYL)-BORANEDIOL | — | 1 | - |
| CHEMBL84336 | THIOCYANIC ACID | — | 1 | - |
| CHEMBL1161632 | BICARBONATE | 3.0 | 2 | - |
| CHEMBL1352 | NITRIC ACID | 3.0 | 1 | - |
| CHEMBL1161681 | NITROUS ACID | 4.0 | 1 | - |
| CHEMBL572964 | SULFURIC ACID | -1.0 | 2 | - |
| CHEMBL355001 | SULFAMIDE | — | 1 | - |
| CHEMBL1362 | FLUORIDE ION | 3.0 | 1 | - |
| CHEMBL21485 | PHENYLBORONIC ACID | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL183419 | CYANIDE | Ki | = | 500.0 | nM | 6.30 |
| CHEMBL1200739 | HYDROGEN SULFIDE | Ki | = | 600.0 | nM | 6.22 |
| CHEMBL185198 | CYNOOXIDE ANION | Ki | = | 700.0 | nM | 6.16 |
| CHEMBL186537 | — | Ki | = | 1200.0 | nM | 5.92 |
| CHEMBL68253 | SULFAMATE | Ki | = | 20000.0 | nM | 4.70 |
| CHEMBL1231821 | HYDROCHLORIC ACID | Ki | = | 6000000.0 | nM | - |
| CHEMBL1231461 | BROMIDE | Ki | = | 4000000.0 | nM | - |
| CHEMBL1233550 | IODIDE | Ki | = | 300000.0 | nM | - |
| CHEMBL2373151 | OXO(PHENYL)-BORANEDIOL | Ki | = | 31700000.0 | nM | - |
| CHEMBL84336 | THIOCYANIC ACID | Ki | = | 200000.0 | nM | - |
| CHEMBL1362 | FLUORIDE ION | Ki | > | 300000000.0 | nM | - |
| CHEMBL1161632 | BICARBONATE | Ki | = | 15000000.0 | nM | - |
| CHEMBL1352 | NITRIC ACID | Ki | = | 7000000.0 | nM | - |
| CHEMBL1161681 | NITROUS ACID | Ki | = | 8400000.0 | nM | - |
| CHEMBL572964 | SULFURIC ACID | Ki | = | 18000000.0 | nM | - |
| CHEMBL572964 | SULFURIC ACID | Ki | = | 63000000.0 | nM | - |
| CHEMBL355001 | SULFAMIDE | Ki | = | 310000.0 | nM | - |
| CHEMBL21485 | PHENYLBORONIC ACID | Ki | = | 58600000.0 | nM | - |
| CHEMBL1161632 | BICARBONATE | Ki | = | 12000000.0 | nM | - |