Assay Detail
ADMET
CHEMBL4187345
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Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (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 | ADMET |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Benzimidazole design, synthesis, and docking to build selective carbonic anhydrase VA inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 20 | 6.41 | 7.24 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4207577 | — | — | 1 | 7.24 |
| CHEMBL4205449 | — | — | 1 | 7.20 |
| CHEMBL406 | INDAPAMIDE | 4.0 | 1 | 6.98 |
| CHEMBL4211504 | — | — | 1 | 6.94 |
| CHEMBL4218335 | — | — | 1 | 6.90 |
| CHEMBL4204892 | — | — | 1 | 6.73 |
| CHEMBL4207063 | — | — | 1 | 6.72 |
| CHEMBL4210750 | — | — | 1 | 6.59 |
| CHEMBL4205044 | — | — | 1 | 6.52 |
| CHEMBL4214894 | — | — | 1 | 6.47 |
| CHEMBL1272243 | — | — | 1 | 6.33 |
| CHEMBL1272188 | — | — | 1 | 6.12 |
| CHEMBL4203615 | — | — | 1 | 6.12 |
| CHEMBL4215863 | — | — | 1 | 6.12 |
| CHEMBL4216585 | — | — | 1 | 6.12 |
| CHEMBL4208414 | — | — | 1 | 6.12 |
| CHEMBL4204729 | — | — | 1 | 6.12 |
| CHEMBL4207242 | — | — | 1 | 6.12 |
| CHEMBL1272187 | — | — | 1 | 6.12 |
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 4.62 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4207577 | — | Kd | = | 57.3 | nM | 7.24 |
| CHEMBL4205449 | — | Kd | = | 62.5 | nM | 7.20 |
| CHEMBL406 | INDAPAMIDE | Kd | = | 105.0 | nM | 6.98 |
| CHEMBL4211504 | — | Kd | = | 115.0 | nM | 6.94 |
| CHEMBL4218335 | — | Kd | = | 125.0 | nM | 6.90 |
| CHEMBL4204892 | — | Kd | = | 187.0 | nM | 6.73 |
| CHEMBL4207063 | — | Kd | = | 191.0 | nM | 6.72 |
| CHEMBL4210750 | — | Kd | = | 255.0 | nM | 6.59 |
| CHEMBL4205044 | — | Kd | = | 300.0 | nM | 6.52 |
| CHEMBL4214894 | — | Kd | = | 341.0 | nM | 6.47 |
| CHEMBL1272243 | — | Kd | = | 469.0 | nM | 6.33 |
| CHEMBL1272188 | — | Kd | = | 750.0 | nM | 6.12 |
| CHEMBL4203615 | — | Kd | = | 750.0 | nM | 6.12 |
| CHEMBL4215863 | — | Kd | = | 750.0 | nM | 6.12 |
| CHEMBL4216585 | — | Kd | = | 750.0 | nM | 6.12 |
| CHEMBL4208414 | — | Kd | = | 750.0 | nM | 6.12 |
| CHEMBL4204729 | — | Kd | = | 750.0 | nM | 6.12 |
| CHEMBL4207242 | — | Kd | = | 750.0 | nM | 6.12 |
| CHEMBL1272187 | — | Kd | = | 750.0 | nM | 6.12 |
| CHEMBL20 | ACETAZOLAMIDE | Kd | = | 24025.0 | nM | 4.62 |