Assay Detail
ADMET
CHEMBL4187341
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Binding affinity to recombinant human full length N-terminal His-tagged carbonic anhydrase 13 (1 to 262 residues) expressed in Escherichia coli BL21 (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 | 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 | 6.14 | 7.30 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 7.30 |
| CHEMBL4211504 | — | — | 1 | 6.58 |
| CHEMBL406 | INDAPAMIDE | 4.0 | 1 | 6.54 |
| CHEMBL4214894 | — | — | 1 | 6.53 |
| CHEMBL4205449 | — | — | 1 | 6.40 |
| CHEMBL1272188 | — | — | 1 | 6.40 |
| CHEMBL1272243 | — | — | 1 | 6.40 |
| CHEMBL4204892 | — | — | 1 | 6.34 |
| CHEMBL4203615 | — | — | 1 | 6.28 |
| CHEMBL4215863 | — | — | 1 | 6.20 |
| CHEMBL4208414 | — | — | 1 | 6.20 |
| CHEMBL1272187 | — | — | 1 | 6.18 |
| CHEMBL4207063 | — | — | 1 | 6.15 |
| CHEMBL4205044 | — | — | 1 | 6.11 |
| CHEMBL4207577 | — | — | 1 | 6.00 |
| CHEMBL4210750 | — | — | 1 | 5.96 |
| CHEMBL4204729 | — | — | 1 | 5.89 |
| CHEMBL4218335 | — | — | 1 | 5.78 |
| CHEMBL4207242 | — | — | 1 | 5.18 |
| CHEMBL4216585 | — | — | 1 | 4.46 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL20 | ACETAZOLAMIDE | Kd | = | 50.0 | nM | 7.30 |
| CHEMBL4211504 | — | Kd | = | 263.0 | nM | 6.58 |
| CHEMBL406 | INDAPAMIDE | Kd | = | 290.0 | nM | 6.54 |
| CHEMBL4214894 | — | Kd | = | 294.0 | nM | 6.53 |
| CHEMBL4205449 | — | Kd | = | 400.0 | nM | 6.40 |
| CHEMBL1272188 | — | Kd | = | 400.0 | nM | 6.40 |
| CHEMBL1272243 | — | Kd | = | 400.0 | nM | 6.40 |
| CHEMBL4204892 | — | Kd | = | 454.0 | nM | 6.34 |
| CHEMBL4203615 | — | Kd | = | 526.0 | nM | 6.28 |
| CHEMBL4215863 | — | Kd | = | 625.0 | nM | 6.20 |
| CHEMBL4208414 | — | Kd | = | 625.0 | nM | 6.20 |
| CHEMBL1272187 | — | Kd | = | 667.0 | nM | 6.18 |
| CHEMBL4207063 | — | Kd | = | 714.0 | nM | 6.15 |
| CHEMBL4205044 | — | Kd | = | 769.0 | nM | 6.11 |
| CHEMBL4207577 | — | Kd | = | 1000.0 | nM | 6.00 |
| CHEMBL4210750 | — | Kd | = | 1090.0 | nM | 5.96 |
| CHEMBL4204729 | — | Kd | = | 1280.0 | nM | 5.89 |
| CHEMBL4218335 | — | Kd | = | 1670.0 | nM | 5.78 |
| CHEMBL4207242 | — | Kd | = | 6670.0 | nM | 5.18 |
| CHEMBL4216585 | — | Kd | = | 34500.0 | nM | 4.46 |