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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Heat shock protein HSP 90-alpha | ||
| Ligand | BDBM50347494 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_754453 (CHEMBL1806078) | ||
| IC50 | 27±n/a nM | ||
| Citation |  Bruncko, M; Tahir, SK; Song, X; Chen, J; Ding, H; Huth, JR; Jin, S; Judge, RA; Madar, DJ; Park, CH; Park, CM; Petros, AM; Tse, C; Rosenberg, SH; Elmore, SW N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg Med Chem Lett20:7503-6 (2010) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Heat shock protein HSP 90-alpha | |||
| Name: | Heat shock protein HSP 90-alpha | ||
| Synonyms: | HS90A_HUMAN | HSP 86 | HSP86 | HSP90A | HSP90AA1 | HSPC1 | HSPCA | Heat Shock Protein 90 (Hsp90) | Heat shock 86 kDa | Heat shock protein HSP 90 (HSP90) | Heat shock protein HSP 90-alpha (HSP90) | Heat shock protein HSP 90-alpha (HSP90A) | LAP-2 | LPS-associated protein 2 | Lipopolysaccharide-associated protein 2 | Renal carcinoma antigen NY-REN-38 | heat shock protein 90kDa alpha (cytosolic), class A member 1 isoform 2 | ||
| Type: | Molecular Chaperone | ||
| Mol. Mass.: | 84623.45 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P07900 | ||
| Residue: | 732 | ||
| Sequence: |
| ||
| BDBM50347494 | |||
| n/a | |||
| Name | BDBM50347494 | ||
| Synonyms: | CHEMBL1801577 | hsp90_41 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H16ClN3O5S | ||
| Mol. Mass. | 445.876 | ||
| SMILES | Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccccc3)cc2[nH]c1=O |(12.4,-9.97,;11.94,-11.44,;10.43,-11.77,;9.97,-13.24,;8.47,-13.57,;11,-14.36,;12.51,-14.04,;12.98,-12.58,;14.48,-12.25,;10.53,-15.83,;9.07,-16.31,;7.74,-15.55,;6.41,-16.32,;6.41,-17.87,;5.07,-18.63,;3.74,-17.86,;3.73,-16.32,;4.5,-14.98,;5.27,-16.31,;2.41,-15.55,;2.42,-14.01,;1.08,-13.24,;-.25,-14.01,;-.25,-15.56,;1.08,-16.32,;7.74,-18.64,;9.08,-17.86,;10.55,-18.32,;11.45,-17.07,;12.99,-17.06,)| | ||
| Structure | 
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