Assay Detail
ADMET
CHEMBL4187346
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Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 4 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 | 8.11 | 9.85 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4218335 | — | — | 1 | 9.85 |
| CHEMBL406 | INDAPAMIDE | 4.0 | 1 | 9.48 |
| CHEMBL4204729 | — | — | 1 | 9.44 |
| CHEMBL4215863 | — | — | 1 | 9.18 |
| CHEMBL4205449 | — | — | 1 | 8.97 |
| CHEMBL1272187 | — | — | 1 | 8.51 |
| CHEMBL1272188 | — | — | 1 | 8.39 |
| CHEMBL1272243 | — | — | 1 | 8.25 |
| CHEMBL4207577 | — | — | 1 | 8.19 |
| CHEMBL4204892 | — | — | 1 | 8.02 |
| CHEMBL4214894 | — | — | 1 | 7.97 |
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 7.86 |
| CHEMBL4203615 | — | — | 1 | 7.85 |
| CHEMBL4205044 | — | — | 1 | 7.85 |
| CHEMBL4207063 | — | — | 1 | 7.84 |
| CHEMBL4211504 | — | — | 1 | 7.69 |
| CHEMBL4210750 | — | — | 1 | 7.43 |
| CHEMBL4208414 | — | — | 1 | 7.32 |
| CHEMBL4216585 | — | — | 1 | 6.07 |
| CHEMBL4207242 | — | — | 1 | 6.07 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4218335 | — | Kd | = | 0.14 | nM | 9.85 |
| CHEMBL406 | INDAPAMIDE | Kd | = | 0.33 | nM | 9.48 |
| CHEMBL4204729 | — | Kd | = | 0.36 | nM | 9.44 |
| CHEMBL4215863 | — | Kd | = | 0.66 | nM | 9.18 |
| CHEMBL4205449 | — | Kd | = | 1.07 | nM | 8.97 |
| CHEMBL1272187 | — | Kd | = | 3.07 | nM | 8.51 |
| CHEMBL1272188 | — | Kd | = | 4.07 | nM | 8.39 |
| CHEMBL1272243 | — | Kd | = | 5.68 | nM | 8.25 |
| CHEMBL4207577 | — | Kd | = | 6.53 | nM | 8.19 |
| CHEMBL4204892 | — | Kd | = | 9.49 | nM | 8.02 |
| CHEMBL4214894 | — | Kd | = | 10.7 | nM | 7.97 |
| CHEMBL20 | ACETAZOLAMIDE | Kd | = | 13.7 | nM | 7.86 |
| CHEMBL4203615 | — | Kd | = | 14.2 | nM | 7.85 |
| CHEMBL4205044 | — | Kd | = | 14.2 | nM | 7.85 |
| CHEMBL4207063 | — | Kd | = | 14.5 | nM | 7.84 |
| CHEMBL4211504 | — | Kd | = | 20.4 | nM | 7.69 |
| CHEMBL4210750 | — | Kd | = | 37.3 | nM | 7.43 |
| CHEMBL4208414 | — | Kd | = | 47.5 | nM | 7.32 |
| CHEMBL4216585 | — | Kd | = | 854.0 | nM | 6.07 |
| CHEMBL4207242 | — | Kd | = | 854.0 | nM | 6.07 |