Assay Detail
ADMET
CHEMBL4316149
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibition of recombinant human carbonic anhydrase-2 incubated for 15 mins by stopped flow CO2 hydrase assay
30
Total Activities
30
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
Synthesis, biological and molecular dynamics investigations with a series of triazolopyrimidine/triazole-based benzenesulfonamides as novel carbonic anhydrase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Ki | 30 | 7.38 | 8.16 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL4555991 | — | — | 1 | 8.16 |
| CHEMBL4561594 | — | — | 1 | 8.07 |
| CHEMBL4559106 | — | — | 1 | 8.06 |
| CHEMBL4520887 | — | — | 1 | 8.05 |
| CHEMBL4455591 | — | — | 1 | 8.02 |
| CHEMBL4458902 | — | — | 1 | 8.02 |
| CHEMBL4585562 | — | — | 1 | 8.01 |
| CHEMBL4441389 | — | — | 1 | 8.01 |
| CHEMBL4452122 | — | — | 1 | 7.96 |
| CHEMBL4538508 | — | — | 1 | 7.96 |
| CHEMBL20 | ACETAZOLAMIDE | 4.0 | 1 | 7.90 |
| CHEMBL4535291 | — | — | 1 | 7.70 |
| CHEMBL4458130 | — | — | 1 | 7.61 |
| CHEMBL4552517 | — | — | 1 | 7.37 |
| CHEMBL4578451 | — | — | 1 | 7.27 |
| CHEMBL4459278 | — | — | 1 | 7.19 |
| CHEMBL4538248 | — | — | 1 | 7.19 |
| CHEMBL4470233 | — | — | 1 | 7.18 |
| CHEMBL4446087 | — | — | 1 | 7.15 |
| CHEMBL4462487 | — | — | 1 | 7.13 |
| CHEMBL4555212 | — | — | 1 | 7.13 |
| CHEMBL4587956 | — | — | 1 | 7.10 |
| CHEMBL4458904 | — | — | 1 | 7.07 |
| CHEMBL4455961 | — | — | 1 | 7.06 |
| CHEMBL4461308 | — | — | 1 | 7.02 |
| CHEMBL4529889 | — | — | 1 | 6.90 |
| CHEMBL4586998 | — | — | 1 | 6.49 |
| CHEMBL4553410 | — | — | 1 | 6.34 |
| CHEMBL4526879 | — | — | 1 | 6.27 |
| CHEMBL4579505 | — | — | 1 | 6.08 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL4555991 | — | Ki | = | 6.9 | nM | 8.16 |
| CHEMBL4561594 | — | Ki | = | 8.5 | nM | 8.07 |
| CHEMBL4559106 | — | Ki | = | 8.8 | nM | 8.06 |
| CHEMBL4520887 | — | Ki | = | 8.9 | nM | 8.05 |
| CHEMBL4455591 | — | Ki | = | 9.6 | nM | 8.02 |
| CHEMBL4458902 | — | Ki | = | 9.5 | nM | 8.02 |
| CHEMBL4585562 | — | Ki | = | 9.8 | nM | 8.01 |
| CHEMBL4441389 | — | Ki | = | 9.7 | nM | 8.01 |
| CHEMBL4452122 | — | Ki | = | 11.1 | nM | 7.96 |
| CHEMBL4538508 | — | Ki | = | 10.9 | nM | 7.96 |
| CHEMBL20 | ACETAZOLAMIDE | Ki | = | 12.5 | nM | 7.90 |
| CHEMBL4535291 | — | Ki | = | 19.9 | nM | 7.70 |
| CHEMBL4458130 | — | Ki | = | 24.7 | nM | 7.61 |
| CHEMBL4552517 | — | Ki | = | 42.8 | nM | 7.37 |
| CHEMBL4578451 | — | Ki | = | 53.9 | nM | 7.27 |
| CHEMBL4459278 | — | Ki | = | 64.2 | nM | 7.19 |
| CHEMBL4538248 | — | Ki | = | 65.2 | nM | 7.19 |
| CHEMBL4470233 | — | Ki | = | 65.5 | nM | 7.18 |
| CHEMBL4446087 | — | Ki | = | 70.5 | nM | 7.15 |
| CHEMBL4462487 | — | Ki | = | 74.2 | nM | 7.13 |
| CHEMBL4555212 | — | Ki | = | 74.7 | nM | 7.13 |
| CHEMBL4587956 | — | Ki | = | 78.7 | nM | 7.10 |
| CHEMBL4458904 | — | Ki | = | 85.6 | nM | 7.07 |
| CHEMBL4455961 | — | Ki | = | 86.4 | nM | 7.06 |
| CHEMBL4461308 | — | Ki | = | 95.4 | nM | 7.02 |
| CHEMBL4529889 | — | Ki | = | 126.6 | nM | 6.90 |
| CHEMBL4586998 | — | Ki | = | 324.6 | nM | 6.49 |
| CHEMBL4553410 | — | Ki | = | 456.2 | nM | 6.34 |
| CHEMBL4526879 | — | Ki | = | 536.9 | nM | 6.27 |
| CHEMBL4579505 | — | Ki | = | 837.6 | nM | 6.08 |