Assay Detail
ADMET
CHEMBL4187352
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Binding affinity to recombinant human carbonic anhydrase 12 (1 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 | 7.70 | 9.51 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4205449 | — | — | 1 | 9.51 |
| CHEMBL4214894 | — | — | 1 | 8.76 |
| CHEMBL4218335 | — | — | 1 | 8.51 |
| CHEMBL4215863 | — | — | 1 | 7.99 |
| CHEMBL1272243 | — | — | 1 | 7.96 |
| CHEMBL406 | INDAPAMIDE | 4.0 | 1 | 7.91 |
| CHEMBL1272187 | — | — | 1 | 7.89 |
| CHEMBL4203615 | — | — | 1 | 7.82 |
| CHEMBL4208414 | — | — | 1 | 7.76 |
| CHEMBL4204729 | — | — | 1 | 7.73 |
| CHEMBL4205044 | — | — | 1 | 7.72 |
| CHEMBL4211504 | — | — | 1 | 7.71 |
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 7.59 |
| CHEMBL1272188 | — | — | 1 | 7.43 |
| CHEMBL4204892 | — | — | 1 | 7.23 |
| CHEMBL4207577 | — | — | 1 | 7.21 |
| CHEMBL4207063 | — | — | 1 | 7.21 |
| CHEMBL4210750 | — | — | 1 | 7.13 |
| CHEMBL4207242 | — | — | 1 | 7.06 |
| CHEMBL4216585 | — | — | 1 | 5.91 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4205449 | — | Kd | = | 0.31 | nM | 9.51 |
| CHEMBL4214894 | — | Kd | = | 1.75 | nM | 8.76 |
| CHEMBL4218335 | — | Kd | = | 3.06 | nM | 8.51 |
| CHEMBL4215863 | — | Kd | = | 10.2 | nM | 7.99 |
| CHEMBL1272243 | — | Kd | = | 11.1 | nM | 7.96 |
| CHEMBL406 | INDAPAMIDE | Kd | = | 12.2 | nM | 7.91 |
| CHEMBL1272187 | — | Kd | = | 12.8 | nM | 7.89 |
| CHEMBL4203615 | — | Kd | = | 15.3 | nM | 7.82 |
| CHEMBL4208414 | — | Kd | = | 17.5 | nM | 7.76 |
| CHEMBL4204729 | — | Kd | = | 18.6 | nM | 7.73 |
| CHEMBL4205044 | — | Kd | = | 19.1 | nM | 7.72 |
| CHEMBL4211504 | — | Kd | = | 19.7 | nM | 7.71 |
| CHEMBL20 | ACETAZOLAMIDE | Kd | = | 25.5 | nM | 7.59 |
| CHEMBL1272188 | — | Kd | = | 37.1 | nM | 7.43 |
| CHEMBL4204892 | — | Kd | = | 58.3 | nM | 7.23 |
| CHEMBL4207577 | — | Kd | = | 62.4 | nM | 7.21 |
| CHEMBL4207063 | — | Kd | = | 62.4 | nM | 7.21 |
| CHEMBL4210750 | — | Kd | = | 74.9 | nM | 7.13 |
| CHEMBL4207242 | — | Kd | = | 87.5 | nM | 7.06 |
| CHEMBL4216585 | — | Kd | = | 1225.0 | nM | 5.91 |