Assay Detail
ADMET
CHEMBL4187344
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Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 2 (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 | 8.12 | 9.02 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4205449 | — | — | 1 | 9.02 |
| CHEMBL4218335 | — | — | 1 | 8.56 |
| CHEMBL4214894 | — | — | 1 | 8.45 |
| CHEMBL406 | INDAPAMIDE | 4.0 | 1 | 8.42 |
| CHEMBL1272243 | — | — | 1 | 8.40 |
| CHEMBL4205044 | — | — | 1 | 8.38 |
| CHEMBL4207577 | — | — | 1 | 8.36 |
| CHEMBL4204892 | — | — | 1 | 8.23 |
| CHEMBL4207063 | — | — | 1 | 8.18 |
| CHEMBL4215863 | — | — | 1 | 8.15 |
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 8.06 |
| CHEMBL4203615 | — | — | 1 | 8.05 |
| CHEMBL4211504 | — | — | 1 | 8.04 |
| CHEMBL1272187 | — | — | 1 | 7.96 |
| CHEMBL4204729 | — | — | 1 | 7.96 |
| CHEMBL4210750 | — | — | 1 | 7.94 |
| CHEMBL4208414 | — | — | 1 | 7.91 |
| CHEMBL1272188 | — | — | 1 | 7.85 |
| CHEMBL4207242 | — | — | 1 | 7.69 |
| CHEMBL4216585 | — | — | 1 | 6.85 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4205449 | — | Kd | = | 0.95 | nM | 9.02 |
| CHEMBL4218335 | — | Kd | = | 2.74 | nM | 8.56 |
| CHEMBL4214894 | — | Kd | = | 3.56 | nM | 8.45 |
| CHEMBL406 | INDAPAMIDE | Kd | = | 3.77 | nM | 8.42 |
| CHEMBL1272243 | — | Kd | = | 3.96 | nM | 8.40 |
| CHEMBL4205044 | — | Kd | = | 4.19 | nM | 8.38 |
| CHEMBL4207577 | — | Kd | = | 4.36 | nM | 8.36 |
| CHEMBL4204892 | — | Kd | = | 5.93 | nM | 8.23 |
| CHEMBL4207063 | — | Kd | = | 6.6 | nM | 8.18 |
| CHEMBL4215863 | — | Kd | = | 7.12 | nM | 8.15 |
| CHEMBL20 | ACETAZOLAMIDE | Kd | = | 8.67 | nM | 8.06 |
| CHEMBL4203615 | — | Kd | = | 8.9 | nM | 8.05 |
| CHEMBL4211504 | — | Kd | = | 9.07 | nM | 8.04 |
| CHEMBL1272187 | — | Kd | = | 11.1 | nM | 7.96 |
| CHEMBL4204729 | — | Kd | = | 11.0 | nM | 7.96 |
| CHEMBL4210750 | — | Kd | = | 11.5 | nM | 7.94 |
| CHEMBL4208414 | — | Kd | = | 12.3 | nM | 7.91 |
| CHEMBL1272188 | — | Kd | = | 14.2 | nM | 7.85 |
| CHEMBL4207242 | — | Kd | = | 20.3 | nM | 7.69 |
| CHEMBL4216585 | — | Kd | = | 142.0 | nM | 6.85 |