Assay Detail
Binding
CHEMBL1838880
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Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturbation by NMR spectroscopy
23
Total Activities
23
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 9 — Direct single protein target |
| Curated By | Autocuration |
Publication
Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 23 | 5.76 | 8.47 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1834096 | — | — | 1 | 8.47 |
| CHEMBL1834390 | — | — | 1 | 7.38 |
| CHEMBL109480 | TANESPIMYCIN | 3.0 | 1 | 6.66 |
| CHEMBL1834093 | — | — | 1 | 6.64 |
| CHEMBL1834385 | — | — | 1 | 6.54 |
| CHEMBL1834386 | — | — | 1 | 6.48 |
| CHEMBL1834387 | — | — | 1 | 6.47 |
| CHEMBL1834388 | — | — | 1 | 6.24 |
| CHEMBL1834091 | — | — | 1 | 6.07 |
| CHEMBL313528 | — | — | 1 | 5.64 |
| CHEMBL1834090 | — | — | 1 | 5.43 |
| CHEMBL1834094 | — | — | 1 | 5.35 |
| CHEMBL86795 | INDAZOLE | — | 1 | 5.28 |
| CHEMBL1834095 | — | — | 1 | 5.16 |
| CHEMBL89436 | — | — | 1 | 5.00 |
| CHEMBL88580 | — | — | 1 | 4.72 |
| CHEMBL561426 | — | — | 1 | 4.29 |
| CHEMBL1834089 | — | — | 1 | 4.10 |
| CHEMBL302453 | — | — | 1 | 3.52 |
| CHEMBL1834088 | — | — | 1 | - |
| CHEMBL1834092 | — | — | 1 | - |
| CHEMBL1834389 | — | — | 1 | - |
| CHEMBL21619 | 2-AMINOPYRIDINE | — | 1 | - |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1834096 | — | Kd | = | 3.4 | nM | 8.47 |
| CHEMBL1834390 | — | Kd | = | 42.0 | nM | 7.38 |
| CHEMBL109480 | TANESPIMYCIN | Kd | = | 220.0 | nM | 6.66 |
| CHEMBL1834093 | — | Kd | = | 230.0 | nM | 6.64 |
| CHEMBL1834385 | — | Kd | = | 290.0 | nM | 6.54 |
| CHEMBL1834386 | — | Kd | = | 330.0 | nM | 6.48 |
| CHEMBL1834387 | — | Kd | = | 340.0 | nM | 6.47 |
| CHEMBL1834388 | — | Kd | = | 570.0 | nM | 6.24 |
| CHEMBL1834091 | — | Kd | = | 860.0 | nM | 6.07 |
| CHEMBL313528 | — | Kd | = | 2300.0 | nM | 5.64 |
| CHEMBL1834090 | — | Kd | = | 3700.0 | nM | 5.43 |
| CHEMBL1834094 | — | Kd | = | 4500.0 | nM | 5.35 |
| CHEMBL86795 | INDAZOLE | Kd | = | 5300.0 | nM | 5.28 |
| CHEMBL1834095 | — | Kd | = | 6900.0 | nM | 5.16 |
| CHEMBL89436 | — | Kd | = | 10000.0 | nM | 5.00 |
| CHEMBL88580 | — | Kd | = | 19000.0 | nM | 4.72 |
| CHEMBL561426 | — | Kd | = | 51000.0 | nM | 4.29 |
| CHEMBL1834089 | — | Kd | = | 79000.0 | nM | 4.10 |
| CHEMBL302453 | — | Kd | = | 300000.0 | nM | 3.52 |
| CHEMBL1834088 | — | Kd | > | 1000.0 | nM | - |
| CHEMBL1834092 | — | Kd | - | — | - | |
| CHEMBL1834389 | — | Kd | > | 1000.0 | nM | - |
| CHEMBL21619 | 2-AMINOPYRIDINE | Kd | > | 1000.0 | nM | - |