Assay Detail
Binding
CHEMBL4187348
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Binding affinity to recombinant human full length N-terminal His6-tagged mitochondrial carbonic anhydrase 5B (40 to 317 residues) expressed in Escherichia coli Rosetta 2 (DE3) assessed as intrinsic dissociation constant in presence of ANS by fluorescent thermal shift assay
20
Total Activities
20
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 |
Target
Carbonic anhydrase 5B, mitochondrial (CHEMBL3969) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 20 | 7.91 | 9.77 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4205449 | — | — | 1 | 9.77 |
| CHEMBL406 | INDAPAMIDE | 4.0 | 1 | 9.34 |
| CHEMBL4218335 | — | — | 1 | 9.11 |
| CHEMBL4207577 | — | — | 1 | 8.80 |
| CHEMBL4203615 | — | — | 1 | 8.76 |
| CHEMBL4204892 | — | — | 1 | 8.61 |
| CHEMBL4205044 | — | — | 1 | 8.41 |
| CHEMBL4215863 | — | — | 1 | 8.19 |
| CHEMBL1272243 | — | — | 1 | 7.89 |
| CHEMBL4214894 | — | — | 1 | 7.81 |
| CHEMBL4207063 | — | — | 1 | 7.62 |
| CHEMBL1272187 | — | — | 1 | 7.59 |
| CHEMBL4208414 | — | — | 1 | 7.54 |
| CHEMBL1272188 | — | — | 1 | 7.51 |
| CHEMBL4210750 | — | — | 1 | 7.23 |
| CHEMBL4211504 | — | — | 1 | 7.20 |
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 7.11 |
| CHEMBL4204729 | — | — | 1 | 7.11 |
| CHEMBL4207242 | — | — | 1 | 6.71 |
| CHEMBL4216585 | — | — | 1 | 5.81 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4205449 | — | Kd | = | 0.17 | nM | 9.77 |
| CHEMBL406 | INDAPAMIDE | Kd | = | 0.46 | nM | 9.34 |
| CHEMBL4218335 | — | Kd | = | 0.78 | nM | 9.11 |
| CHEMBL4207577 | — | Kd | = | 1.58 | nM | 8.80 |
| CHEMBL4203615 | — | Kd | = | 1.73 | nM | 8.76 |
| CHEMBL4204892 | — | Kd | = | 2.43 | nM | 8.61 |
| CHEMBL4205044 | — | Kd | = | 3.89 | nM | 8.41 |
| CHEMBL4215863 | — | Kd | = | 6.48 | nM | 8.19 |
| CHEMBL1272243 | — | Kd | = | 13.0 | nM | 7.89 |
| CHEMBL4214894 | — | Kd | = | 15.5 | nM | 7.81 |
| CHEMBL4207063 | — | Kd | = | 23.8 | nM | 7.62 |
| CHEMBL1272187 | — | Kd | = | 25.9 | nM | 7.59 |
| CHEMBL4208414 | — | Kd | = | 28.8 | nM | 7.54 |
| CHEMBL1272188 | — | Kd | = | 31.1 | nM | 7.51 |
| CHEMBL4210750 | — | Kd | = | 59.4 | nM | 7.23 |
| CHEMBL4211504 | — | Kd | = | 62.6 | nM | 7.20 |
| CHEMBL20 | ACETAZOLAMIDE | Kd | = | 77.2 | nM | 7.11 |
| CHEMBL4204729 | — | Kd | = | 77.7 | nM | 7.11 |
| CHEMBL4207242 | — | Kd | = | 194.0 | nM | 6.71 |
| CHEMBL4216585 | — | Kd | = | 1554.0 | nM | 5.81 |