Assay Detail
Binding
CHEMBL1250559
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Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry
29
Total Activities
29
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Organism | Homo sapiens |
| Confidence | 5 — Multiple protein complex / RNA |
| Curated By | Autocuration |
Publication
Fragment-based drug discovery applied to Hsp90. Discovery of two lead series with high ligand efficiency.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 29 | 6.18 | 9.27 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1215467 | — | — | 1 | 9.27 |
| CHEMBL1231550 | — | — | 1 | 8.32 |
| CHEMBL1253285 | — | — | 1 | 8.20 |
| CHEMBL1253360 | — | — | 1 | 7.96 |
| CHEMBL1253267 | — | — | 1 | 7.92 |
| CHEMBL1253286 | — | — | 1 | 7.55 |
| CHEMBL1253265 | — | — | 1 | 7.44 |
| CHEMBL1253268 | — | — | 1 | 7.32 |
| CHEMBL1253209 | — | — | 1 | 7.17 |
| CHEMBL1254575 | — | — | 1 | 7.17 |
| CHEMBL1253266 | — | — | 1 | 7.08 |
| CHEMBL1254649 | — | — | 1 | 6.89 |
| CHEMBL1254573 | — | — | 1 | 6.60 |
| CHEMBL1236159 | — | — | 1 | 6.60 |
| CHEMBL1236713 | — | — | 1 | 6.46 |
| CHEMBL1253359 | — | — | 1 | 6.40 |
| CHEMBL1231552 | — | — | 1 | 5.96 |
| CHEMBL1253208 | — | — | 1 | 5.70 |
| CHEMBL1253338 | — | — | 1 | 5.64 |
| CHEMBL1254492 | — | — | 1 | 5.60 |
| CHEMBL1254574 | — | — | 1 | 5.60 |
| CHEMBL1253307 | — | — | 1 | 5.16 |
| CHEMBL1253308 | — | — | 1 | 5.07 |
| CHEMBL1253306 | — | — | 1 | 4.35 |
| CHEMBL1253309 | — | — | 1 | 4.29 |
| CHEMBL1253337 | — | — | 1 | 3.87 |
| CHEMBL1236798 | — | — | 1 | 3.60 |
| CHEMBL1229908 | ETHAMIVAN | 2.0 | 1 | 3.10 |
| CHEMBL1253287 | — | — | 1 | 2.95 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1215467 | — | Kd | = | 0.54 | nM | 9.27 |
| CHEMBL1231550 | — | Kd | = | 4.8 | nM | 8.32 |
| CHEMBL1253285 | — | Kd | = | 6.3 | nM | 8.20 |
| CHEMBL1253360 | — | Kd | = | 11.0 | nM | 7.96 |
| CHEMBL1253267 | — | Kd | = | 12.0 | nM | 7.92 |
| CHEMBL1253286 | — | Kd | = | 28.0 | nM | 7.55 |
| CHEMBL1253265 | — | Kd | = | 36.0 | nM | 7.44 |
| CHEMBL1253268 | — | Kd | = | 48.0 | nM | 7.32 |
| CHEMBL1253209 | — | Kd | = | 68.0 | nM | 7.17 |
| CHEMBL1254575 | — | Kd | = | 68.0 | nM | 7.17 |
| CHEMBL1253266 | — | Kd | = | 83.0 | nM | 7.08 |
| CHEMBL1254649 | — | Kd | = | 128.0 | nM | 6.89 |
| CHEMBL1254573 | — | Kd | = | 250.0 | nM | 6.60 |
| CHEMBL1236159 | — | Kd | = | 250.0 | nM | 6.60 |
| CHEMBL1236713 | — | Kd | = | 350.0 | nM | 6.46 |
| CHEMBL1253359 | — | Kd | = | 400.0 | nM | 6.40 |
| CHEMBL1231552 | — | Kd | = | 1100.0 | nM | 5.96 |
| CHEMBL1253208 | — | Kd | = | 2000.0 | nM | 5.70 |
| CHEMBL1253338 | — | Kd | = | 2300.0 | nM | 5.64 |
| CHEMBL1254492 | — | Kd | = | 2500.0 | nM | 5.60 |
| CHEMBL1254574 | — | Kd | = | 2500.0 | nM | 5.60 |
| CHEMBL1253307 | — | Kd | = | 7000.0 | nM | 5.16 |
| CHEMBL1253308 | — | Kd | = | 8600.0 | nM | 5.07 |
| CHEMBL1253306 | — | Kd | = | 45000.0 | nM | 4.35 |
| CHEMBL1253309 | — | Kd | = | 51000.0 | nM | 4.29 |
| CHEMBL1253337 | — | Kd | = | 134000.0 | nM | 3.87 |
| CHEMBL1236798 | — | Kd | = | 250000.0 | nM | 3.60 |
| CHEMBL1229908 | ETHAMIVAN | Kd | = | 790000.0 | nM | 3.10 |
| CHEMBL1253287 | — | Kd | = | 1130000.0 | nM | 2.95 |