Assay Detail
Binding
CHEMBL924228
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Inhibition of aldose reductase
28
Total Activities
28
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Intermediate |
Target
Aldo-keto reductase family 1 member B1 (CHEMBL1900) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 28 | 6.97 | 9.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL240725 | — | — | 1 | 9.00 |
| CHEMBL20740 | — | — | 1 | 8.51 |
| CHEMBL363387 | LIDORESTAT | 2.0 | 1 | 8.30 |
| CHEMBL241577 | — | — | 1 | 8.22 |
| CHEMBL241367 | — | — | 1 | 8.15 |
| CHEMBL399598 | — | — | 1 | 7.96 |
| CHEMBL334830 | RANIRESTAT | 3.0 | 1 | 7.82 |
| CHEMBL240722 | — | — | 1 | 7.60 |
| CHEMBL240721 | — | — | 1 | 7.54 |
| CHEMBL395347 | — | — | 1 | 7.52 |
| CHEMBL240720 | — | — | 1 | 7.46 |
| CHEMBL84446 | FIDARESTAT | 2.0 | 1 | 7.46 |
| CHEMBL10413 | ZENARESTAT | 2.0 | 1 | 7.36 |
| CHEMBL7679 | PONALRESTAT | 2.0 | 1 | 7.25 |
| CHEMBL273910 | MINALRESTAT | 2.0 | 1 | 7.14 |
| CHEMBL239440 | — | — | 1 | 7.06 |
| CHEMBL240719 | — | — | 1 | 6.97 |
| CHEMBL241777 | — | — | 1 | 6.82 |
| CHEMBL241572 | — | — | 1 | 6.75 |
| CHEMBL335776 | — | — | 1 | 6.72 |
| CHEMBL241570 | — | — | 1 | 6.64 |
| CHEMBL84060 | (R,S)-FIDARESTAT | — | 1 | 6.24 |
| CHEMBL240871 | — | — | 1 | 5.96 |
| CHEMBL266497 | SORBINIL | 3.0 | 1 | 5.70 |
| CHEMBL240714 | — | — | 1 | 5.46 |
| CHEMBL240293 | — | — | 1 | 5.36 |
| CHEMBL14184 | HEXANOATE | — | 1 | 4.17 |
| CHEMBL1044 | PHENYLACETIC ACID | -1.0 | 1 | 4.02 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL240725 | — | IC50 | = | 1.0 | nM | 9.00 |
| CHEMBL20740 | — | IC50 | = | 3.1 | nM | 8.51 |
| CHEMBL363387 | LIDORESTAT | IC50 | = | 5.0 | nM | 8.30 |
| CHEMBL241577 | — | IC50 | = | 6.0 | nM | 8.22 |
| CHEMBL241367 | — | IC50 | = | 7.0 | nM | 8.15 |
| CHEMBL399598 | — | IC50 | = | 11.0 | nM | 7.96 |
| CHEMBL334830 | RANIRESTAT | IC50 | = | 15.0 | nM | 7.82 |
| CHEMBL240722 | — | IC50 | = | 25.0 | nM | 7.60 |
| CHEMBL240721 | — | IC50 | = | 29.0 | nM | 7.54 |
| CHEMBL395347 | — | IC50 | = | 30.0 | nM | 7.52 |
| CHEMBL240720 | — | IC50 | = | 35.0 | nM | 7.46 |
| CHEMBL84446 | FIDARESTAT | IC50 | = | 35.0 | nM | 7.46 |
| CHEMBL10413 | ZENARESTAT | IC50 | = | 44.0 | nM | 7.36 |
| CHEMBL7679 | PONALRESTAT | IC50 | = | 56.5 | nM | 7.25 |
| CHEMBL273910 | MINALRESTAT | IC50 | = | 73.0 | nM | 7.14 |
| CHEMBL239440 | — | IC50 | = | 87.0 | nM | 7.06 |
| CHEMBL240719 | — | IC50 | = | 108.0 | nM | 6.97 |
| CHEMBL241777 | — | IC50 | = | 150.0 | nM | 6.82 |
| CHEMBL241572 | — | IC50 | = | 176.0 | nM | 6.75 |
| CHEMBL335776 | — | IC50 | = | 190.0 | nM | 6.72 |
| CHEMBL241570 | — | IC50 | = | 230.0 | nM | 6.64 |
| CHEMBL84060 | (R,S)-FIDARESTAT | IC50 | = | 570.0 | nM | 6.24 |
| CHEMBL240871 | — | IC50 | = | 1100.0 | nM | 5.96 |
| CHEMBL266497 | SORBINIL | IC50 | = | 2000.0 | nM | 5.70 |
| CHEMBL240714 | — | IC50 | = | 3500.0 | nM | 5.46 |
| CHEMBL240293 | — | IC50 | = | 4400.0 | nM | 5.36 |
| CHEMBL14184 | HEXANOATE | IC50 | = | 68200.0 | nM | 4.17 |
| CHEMBL1044 | PHENYLACETIC ACID | IC50 | = | 96000.0 | nM | 4.02 |