Assay Detail
Binding
CHEMBL4187336
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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) 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 | 6.09 | 7.65 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4205449 | — | — | 1 | 7.65 |
| CHEMBL406 | INDAPAMIDE | 4.0 | 1 | 7.23 |
| CHEMBL4207577 | — | — | 1 | 7.18 |
| CHEMBL4218335 | — | — | 1 | 7.00 |
| CHEMBL4203615 | — | — | 1 | 6.65 |
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 6.51 |
| CHEMBL4204892 | — | — | 1 | 6.50 |
| CHEMBL4205044 | — | — | 1 | 6.30 |
| CHEMBL4215863 | — | — | 1 | 6.08 |
| CHEMBL4207063 | — | — | 1 | 6.00 |
| CHEMBL1272243 | — | — | 1 | 5.78 |
| CHEMBL4214894 | — | — | 1 | 5.70 |
| CHEMBL4210750 | — | — | 1 | 5.60 |
| CHEMBL4211504 | — | — | 1 | 5.58 |
| CHEMBL1272187 | — | — | 1 | 5.48 |
| CHEMBL4208414 | — | — | 1 | 5.43 |
| CHEMBL1272188 | — | — | 1 | 5.40 |
| CHEMBL4204729 | — | — | 1 | 5.00 |
| CHEMBL4207242 | — | — | 1 | 4.60 |
| CHEMBL4216585 | — | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4205449 | — | Kd | = | 22.2 | nM | 7.65 |
| CHEMBL406 | INDAPAMIDE | Kd | = | 59.0 | nM | 7.23 |
| CHEMBL4207577 | — | Kd | = | 66.7 | nM | 7.18 |
| CHEMBL4218335 | — | Kd | = | 100.0 | nM | 7.00 |
| CHEMBL4203615 | — | Kd | = | 222.0 | nM | 6.65 |
| CHEMBL20 | ACETAZOLAMIDE | Kd | = | 310.0 | nM | 6.51 |
| CHEMBL4204892 | — | Kd | = | 313.0 | nM | 6.50 |
| CHEMBL4205044 | — | Kd | = | 500.0 | nM | 6.30 |
| CHEMBL4215863 | — | Kd | = | 833.0 | nM | 6.08 |
| CHEMBL4207063 | — | Kd | = | 1000.0 | nM | 6.00 |
| CHEMBL1272243 | — | Kd | = | 1670.0 | nM | 5.78 |
| CHEMBL4214894 | — | Kd | = | 2000.0 | nM | 5.70 |
| CHEMBL4210750 | — | Kd | = | 2500.0 | nM | 5.60 |
| CHEMBL4211504 | — | Kd | = | 2630.0 | nM | 5.58 |
| CHEMBL1272187 | — | Kd | = | 3330.0 | nM | 5.48 |
| CHEMBL4208414 | — | Kd | = | 3700.0 | nM | 5.43 |
| CHEMBL1272188 | — | Kd | = | 4000.0 | nM | 5.40 |
| CHEMBL4204729 | — | Kd | = | 10000.0 | nM | 5.00 |
| CHEMBL4207242 | — | Kd | = | 25000.0 | nM | 4.60 |
| CHEMBL4216585 | — | Kd | = | 200000.0 | nM | - |