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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Heat shock protein HSP 90-alpha/90-beta | ||
| Ligand | BDBM50480376 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_572644 (CHEMBL1026068) | ||
| IC50 | 46000±n/a nM | ||
| Citation |  Huang, KH; Veal, JM; Fadden, RP; Rice, JW; Eaves, J; Strachan, JP; Barabasz, AF; Foley, BE; Barta, TE; Ma, W; Silinski, MA; Hu, M; Partridge, JM; Scott, A; DuBois, LG; Freed, T; Steed, PM; Ommen, AJ; Smith, ED; Hughes, PF; Woodward, AR; Hanson, GJ; McCall, WS; Markworth, CJ; Hinkley, L; Jenks, M; Geng, L; Lewis, M; Otto, J; Pronk, B; Verleysen, K; Hall, SE Discovery of novel 2-aminobenzamide inhibitors of heat shock protein 90 as potent, selective and orally active antitumor agents. J Med Chem52:4288-305 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Heat shock protein HSP 90-alpha/90-beta | |||
| Name: | Heat shock protein HSP 90-alpha/90-beta | ||
| Synonyms: | Heat Shock Protein 90 (Hsp90) | Heat shock protein HSP 90 | Heat shock protein HSP90 | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of EBI is 29664 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| 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: |
| ||
| Component 2 | |||
| 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: |
| ||
| BDBM50480376 | |||
| n/a | |||
| Name | BDBM50480376 | ||
| Synonyms: | CHEMBL558876 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H34N4O3 | ||
| Mol. Mass. | 450.5732 | ||
| SMILES | CC1(C)Cc2c(c(CC3CC3)nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(=O)C1 |r,wU:22.23,wD:25.27,(-2.35,-2,;-2.38,-.77,;-3.43,-.12,;-1.03,-1.55,;.3,-.77,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.8,4.02,;5.12,2.51,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;2.98,-5.68,;3.35,-7.18,;4.53,-7.52,;2.46,-8.03,;4.09,-4.62,;5.57,-5.04,;6.68,-3.97,;6.3,-2.47,;7.41,-1.4,;8.89,-1.82,;9.77,-.96,;9.27,-3.32,;8.16,-4.39,;3.72,-3.12,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,)| | ||
| Structure | 
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