Assay Detail
Binding
CHEMBL643940
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Inhibition of Aldose reductase (AR)
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Target
Aldo-keto reductase family 1 member B1 (CHEMBL3081) ↗| Type | SINGLE PROTEIN |
| Organism | Bos taurus |
Publication
Discovery of novel aldose reductase inhibitors using a protein structure-based approach: 3D-database search followed by design and synthesis.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 16 | 5.47 | 6.68 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL295139 | — | — | 1 | 6.68 |
| CHEMBL50599 | — | — | 1 | 6.51 |
| CHEMBL416825 | — | — | 1 | 6.27 |
| CHEMBL48215 | — | — | 1 | 5.85 |
| CHEMBL48265 | — | — | 1 | 5.72 |
| CHEMBL48119 | — | — | 1 | 5.54 |
| CHEMBL800 | — | — | 1 | 5.50 |
| CHEMBL47836 | — | — | 1 | 5.47 |
| CHEMBL417723 | — | — | 1 | 5.38 |
| CHEMBL6 | INDOMETHACIN | 4.0 | 1 | 5.30 |
| CHEMBL48025 | — | — | 1 | 5.22 |
| CHEMBL46163 | — | — | 1 | 5.01 |
| CHEMBL47515 | — | — | 1 | 4.89 |
| CHEMBL47421 | — | — | 1 | 4.75 |
| CHEMBL43790 | — | — | 1 | 4.75 |
| CHEMBL48396 | ACEDIASULFONE | 2.0 | 1 | 4.70 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL295139 | — | IC50 | = | 210.0 | nM | 6.68 |
| CHEMBL50599 | — | IC50 | = | 310.0 | nM | 6.51 |
| CHEMBL416825 | — | IC50 | = | 540.0 | nM | 6.27 |
| CHEMBL48215 | — | IC50 | = | 1400.0 | nM | 5.85 |
| CHEMBL48265 | — | IC50 | = | 1900.0 | nM | 5.72 |
| CHEMBL48119 | — | IC50 | = | 2900.0 | nM | 5.54 |
| CHEMBL800 | — | IC50 | = | 3200.0 | nM | 5.50 |
| CHEMBL47836 | — | IC50 | = | 3400.0 | nM | 5.47 |
| CHEMBL417723 | — | IC50 | = | 4200.0 | nM | 5.38 |
| CHEMBL6 | INDOMETHACIN | IC50 | = | 5000.0 | nM | 5.30 |
| CHEMBL48025 | — | IC50 | = | 6000.0 | nM | 5.22 |
| CHEMBL46163 | — | IC50 | = | 9800.0 | nM | 5.01 |
| CHEMBL47515 | — | IC50 | = | 13000.0 | nM | 4.89 |
| CHEMBL47421 | — | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL43790 | — | IC50 | = | 18000.0 | nM | 4.75 |
| CHEMBL48396 | ACEDIASULFONE | IC50 | = | 20000.0 | nM | 4.70 |