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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | E3 ubiquitin-protein ligase XIAP | ||
| Ligand | BDBM162123 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1509647 (CHEMBL3603530) | ||
| IC50 | >50000±n/a nM | ||
| Citation |  Holzer, P; Masuya, K; Furet, P; Kallen, J; Valat-Stachyra, T; Ferretti, S; Berghausen, J; Bouisset-Leonard, M; Buschmann, N; Pissot-Soldermann, C; Rynn, C; Ruetz, S; Stutz, S; Chène, P; Jeay, S; Gessier, F Discovery of a Dihydroisoquinolinone Derivative (NVP-CGM097): A Highly Potent and Selective MDM2 Inhibitor Undergoing Phase 1 Clinical Trials in p53wt Tumors. J Med Chem58:6348-58 (2015) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| E3 ubiquitin-protein ligase XIAP | |||
| Name: | E3 ubiquitin-protein ligase XIAP | ||
| Synonyms: | API3 | BIRC4 | E3 ubiquitin-protein ligase XIAP | IAP3 | Inhibitor of apoptosis protein 3 | Inhibitor of apoptosis protein 3 (XIAP) | X-linked inhibitor of apoptosis | X-linked inhibitor of apoptosis protein (XIAP) | XIAP | XIAP_HUMAN | ||
| Type: | Protein | ||
| Mol. Mass.: | 56685.27 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P98170 | ||
| Residue: | 497 | ||
| Sequence: |
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| BDBM162123 | |||
| n/a | |||
| Name | BDBM162123 | ||
| Synonyms: | US9051279, 106 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C38H47ClN4O4 | ||
| Mol. Mass. | 659.257 | ||
| SMILES | COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1 |r,wU:33.36,wD:9.9,36.43,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;3.33,.77,;2,1.54,;.67,.77,;-.67,1.54,;.67,-.77,;2,-1.54,;2,-3.08,;.67,-3.85,;.67,-5.39,;2,-6.16,;2,-7.7,;3.33,-5.39,;3.33,-3.85,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;6,-3.85,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-.67,-3.08,;-4.67,-3.85,;-4.67,-5.39,;-6,-3.08,;-6,-1.54,;-7.34,-.77,;-7.34,.77,;-6,1.54,;-4.67,.77,;-4.67,-.77,;-6,3.08,;-4.67,3.85,;-4.67,5.39,;-6,6.16,;-6,7.7,;-7.34,5.39,;-8.67,6.16,;-7.34,3.85,)| | ||
| Structure | 
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