Assay Detail
Binding
CHEMBL1018360
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Binding affinity to HMG-CoA reductase by isothermal calorimetry
26
Total Activities
26
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Intermediate |
Target
3-hydroxy-3-methylglutaryl-coenzyme A reductase (CHEMBL402) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 26 | 7.72 | 8.49 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL488300 | — | — | 1 | 8.49 |
| CHEMBL501917 | — | — | 1 | 8.27 |
| CHEMBL471745 | — | — | 1 | 8.21 |
| CHEMBL488297 | — | — | 1 | 8.16 |
| CHEMBL487632 | — | — | 1 | 8.12 |
| CHEMBL455524 | — | — | 1 | 8.03 |
| CHEMBL503128 | — | — | 1 | 8.01 |
| CHEMBL488471 | — | — | 1 | 7.90 |
| CHEMBL488636 | — | — | 1 | 7.87 |
| CHEMBL488821 | — | — | 1 | 7.85 |
| CHEMBL527431 | — | — | 1 | 7.84 |
| CHEMBL1496 | ROSUVASTATIN | 4.0 | 1 | 7.77 |
| CHEMBL452139 | — | — | 1 | 7.67 |
| CHEMBL521039 | — | — | 1 | 7.67 |
| CHEMBL444210 | — | — | 1 | 7.66 |
| CHEMBL504314 | — | — | 1 | 7.58 |
| CHEMBL520068 | — | — | 1 | 7.57 |
| CHEMBL1565 | — | — | 1 | 7.56 |
| CHEMBL488298 | — | — | 1 | 7.50 |
| CHEMBL487278 | — | — | 1 | 7.46 |
| CHEMBL481660 | — | — | 1 | 7.39 |
| CHEMBL504300 | — | — | 1 | 7.37 |
| CHEMBL487631 | — | — | 1 | 7.29 |
| CHEMBL488299 | — | — | 1 | 7.20 |
| CHEMBL471744 | — | — | 1 | 7.16 |
| CHEMBL465885 | — | — | 1 | 7.02 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL488300 | — | Kd | = | 3.2 | nM | 8.49 |
| CHEMBL501917 | — | Kd | = | 5.4 | nM | 8.27 |
| CHEMBL471745 | — | Kd | = | 6.2 | nM | 8.21 |
| CHEMBL488297 | — | Kd | = | 6.9 | nM | 8.16 |
| CHEMBL487632 | — | Kd | = | 7.5 | nM | 8.12 |
| CHEMBL455524 | — | Kd | = | 9.4 | nM | 8.03 |
| CHEMBL503128 | — | Kd | = | 9.7 | nM | 8.01 |
| CHEMBL488471 | — | Kd | = | 12.7 | nM | 7.90 |
| CHEMBL488636 | — | Kd | = | 13.5 | nM | 7.87 |
| CHEMBL488821 | — | Kd | = | 14.0 | nM | 7.85 |
| CHEMBL527431 | — | Kd | = | 14.3 | nM | 7.84 |
| CHEMBL1496 | ROSUVASTATIN | Kd | = | 17.0 | nM | 7.77 |
| CHEMBL452139 | — | Kd | = | 21.3 | nM | 7.67 |
| CHEMBL521039 | — | Kd | = | 21.6 | nM | 7.67 |
| CHEMBL444210 | — | Kd | = | 22.0 | nM | 7.66 |
| CHEMBL504314 | — | Kd | = | 26.3 | nM | 7.58 |
| CHEMBL520068 | — | Kd | = | 26.9 | nM | 7.57 |
| CHEMBL1565 | — | Kd | = | 27.4 | nM | 7.56 |
| CHEMBL488298 | — | Kd | = | 31.6 | nM | 7.50 |
| CHEMBL487278 | — | Kd | = | 34.8 | nM | 7.46 |
| CHEMBL481660 | — | Kd | = | 40.7 | nM | 7.39 |
| CHEMBL504300 | — | Kd | = | 42.7 | nM | 7.37 |
| CHEMBL487631 | — | Kd | = | 51.7 | nM | 7.29 |
| CHEMBL488299 | — | Kd | = | 62.5 | nM | 7.20 |
| CHEMBL471744 | — | Kd | = | 68.5 | nM | 7.16 |
| CHEMBL465885 | — | Kd | = | 95.7 | nM | 7.02 |