Assay Detail
Binding
CHEMBL1219211
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Binding affinity to Hsp90 N-terminal ATPase domain by isothermal titration calorimetry assay
34
Total Activities
34
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 0 — Uncurated / Unknown |
| Curated By | Autocuration |
Publication
Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| Kd | 34 | 8.64 | 9.52 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL1214677 | — | — | 1 | 9.52 |
| CHEMBL1215613 | — | — | 1 | 9.51 |
| CHEMBL1214676 | — | — | 1 | 9.44 |
| CHEMBL1214749 | — | — | 1 | 9.37 |
| CHEMBL1215677 | — | — | 1 | 9.30 |
| CHEMBL1214678 | — | — | 1 | 9.30 |
| CHEMBL1215678 | — | — | 1 | 9.29 |
| CHEMBL1215467 | — | — | 1 | 9.27 |
| CHEMBL1215741 | — | — | 1 | 9.17 |
| CHEMBL1214827 | ONALESPIB | 2.0 | 1 | 9.15 |
| CHEMBL1214747 | — | — | 1 | 9.05 |
| CHEMBL1215676 | — | — | 1 | 9.05 |
| CHEMBL1214746 | — | — | 1 | 9.02 |
| CHEMBL1215542 | — | — | 1 | 9.00 |
| CHEMBL2448099 | — | — | 1 | 8.92 |
| CHEMBL1215614 | — | — | 1 | 8.89 |
| CHEMBL1214748 | — | — | 1 | 8.89 |
| CHEMBL1214750 | — | — | 1 | 8.89 |
| CHEMBL1215744 | — | — | 1 | 8.85 |
| CHEMBL1215539 | — | — | 1 | 8.70 |
| CHEMBL1214679 | — | — | 1 | 8.64 |
| CHEMBL1215611 | — | — | 1 | 8.62 |
| CHEMBL1215675 | — | — | 1 | 8.57 |
| CHEMBL1215541 | — | — | 1 | 8.52 |
| CHEMBL1215543 | — | — | 1 | 8.40 |
| CHEMBL1215745 | — | — | 1 | 8.40 |
| CHEMBL1215540 | — | — | 1 | 8.40 |
| CHEMBL1215612 | — | — | 1 | 8.34 |
| CHEMBL1215742 | — | — | 1 | 8.14 |
| CHEMBL1215743 | — | — | 1 | 8.10 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL1214677 | — | Kd | = | 0.3 | nM | 9.52 |
| CHEMBL1215613 | — | Kd | = | 0.31 | nM | 9.51 |
| CHEMBL1214676 | — | Kd | = | 0.36 | nM | 9.44 |
| CHEMBL1214749 | — | Kd | = | 0.43 | nM | 9.37 |
| CHEMBL1215677 | — | Kd | = | 0.5 | nM | 9.30 |
| CHEMBL1214678 | — | Kd | = | 0.5 | nM | 9.30 |
| CHEMBL1215678 | — | Kd | = | 0.51 | nM | 9.29 |
| CHEMBL1215467 | — | Kd | = | 0.54 | nM | 9.27 |
| CHEMBL1215741 | — | Kd | = | 0.68 | nM | 9.17 |
| CHEMBL1214827 | ONALESPIB | Kd | = | 0.71 | nM | 9.15 |
| CHEMBL1214747 | — | Kd | = | 0.9 | nM | 9.05 |
| CHEMBL1215676 | — | Kd | = | 0.9 | nM | 9.05 |
| CHEMBL1214746 | — | Kd | = | 0.95 | nM | 9.02 |
| CHEMBL1215542 | — | Kd | = | 1.0 | nM | 9.00 |
| CHEMBL2448099 | — | Kd | = | 1.2 | nM | 8.92 |
| CHEMBL1214748 | — | Kd | = | 1.3 | nM | 8.89 |
| CHEMBL1215614 | — | Kd | = | 1.3 | nM | 8.89 |
| CHEMBL1214750 | — | Kd | = | 1.3 | nM | 8.89 |
| CHEMBL1215744 | — | Kd | = | 1.4 | nM | 8.85 |
| CHEMBL1215539 | — | Kd | = | 2.0 | nM | 8.70 |
| CHEMBL1214679 | — | Kd | = | 2.3 | nM | 8.64 |
| CHEMBL1215611 | — | Kd | = | 2.4 | nM | 8.62 |
| CHEMBL1215675 | — | Kd | = | 2.7 | nM | 8.57 |
| CHEMBL1215541 | — | Kd | = | 3.0 | nM | 8.52 |
| CHEMBL1215745 | — | Kd | = | 4.0 | nM | 8.40 |
| CHEMBL1215540 | — | Kd | = | 4.0 | nM | 8.40 |
| CHEMBL1215543 | — | Kd | = | 4.0 | nM | 8.40 |
| CHEMBL1215612 | — | Kd | = | 4.6 | nM | 8.34 |
| CHEMBL1215742 | — | Kd | = | 7.3 | nM | 8.14 |
| CHEMBL1215743 | — | Kd | = | 7.9 | nM | 8.10 |
| CHEMBL1215468 | — | Kd | = | 15.0 | nM | 7.82 |
| CHEMBL383824 | ALVESPIMYCIN | Kd | = | 210.0 | nM | 6.68 |
| CHEMBL1215538 | — | Kd | = | 310.0 | nM | 6.51 |
| CHEMBL1215469 | — | Kd | = | 1300.0 | nM | 5.89 |