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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Heat shock protein HSP 90-beta | ||
| Ligand | BDBM50361693 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_798935 (CHEMBL1943442) | ||
| IC50 | 8.6±n/a nM | ||
| Citation |  Baruchello, R; Simoni, D; Grisolia, G; Barbato, G; Marchetti, P; Rondanin, R; Mangiola, S; Giannini, G; Brunetti, T; Alloatti, D; Gallo, G; Ciacci, A; Vesci, L; Castorina, M; Milazzo, FM; Cervoni, ML; Guglielmi, MB; Barbarino, M; Foderà, R; Pisano, C; Cabri, W Novel 3,4-isoxazolediamides as potent inhibitors of chaperone heat shock protein 90. J Med Chem54:8592-604 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Heat shock protein HSP 90-beta | |||
| Name: | Heat shock protein HSP 90-beta | ||
| Synonyms: | HS90B_HUMAN | HSP 84 | HSP 90 | HSP90AB1 | HSP90B | HSPC2 | HSPCB | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 (Hsp90) | ||
| Type: | Molecular Chaperone | ||
| Mol. Mass.: | 83229.45 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P08238 | ||
| Residue: | 724 | ||
| Sequence: |
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| BDBM50361693 | |||
| n/a | |||
| Name | BDBM50361693 | ||
| Synonyms: | CHEMBL1938422 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H34N4O5 | ||
| Mol. Mass. | 458.5506 | ||
| SMILES | CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](CNC)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,wD:16.17,(7.43,-35.36,;5.89,-35.35,;5.13,-34.01,;3.59,-34.01,;2.92,-32.62,;2.72,-35.28,;3.23,-36.73,;2.01,-37.67,;.74,-36.79,;1.18,-35.32,;.24,-34.1,;-1.3,-34.07,;-2.1,-35.39,;-2.04,-32.72,;-3.58,-32.69,;-4.32,-31.33,;-3.52,-30.02,;-4.25,-28.66,;-5.79,-28.63,;-6.53,-27.27,;-1.98,-30.06,;-1.24,-31.41,;-.59,-37.57,;-1.92,-36.8,;-3.25,-37.57,;-4.59,-36.8,;-4.59,-35.26,;-5.92,-37.58,;-3.26,-39.12,;-4.59,-39.89,;-1.92,-39.89,;-.58,-39.12,;.75,-39.89,)| | ||
| Structure | 
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