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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | E3 ubiquitin-protein ligase Mdm2 | ||
| Ligand | BDBM50041031 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1445462 (CHEMBL3380268) | ||
| Ki | 3.4±n/a nM | ||
| Citation |  Aguilar, A; Sun, W; Liu, L; Lu, J; McEachern, D; Bernard, D; Deschamps, JR; Wang, S Design of chemically stable, potent, and efficacious MDM2 inhibitors that exploit the retro-mannich ring-opening-cyclization reaction mechanism in spiro-oxindoles. J Med Chem57:10486-98 (2014) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| E3 ubiquitin-protein ligase Mdm2 | |||
| Name: | E3 ubiquitin-protein ligase Mdm2 | ||
| Synonyms: | Double minute 2 protein | Double minute 2 protein (HDM2) | E3 ubiquitin-protein ligase Mdm2 (p53-binding protein Mdm2) | Hdm2 | Human Double Minute 2 (HDM2) | MDM2 | MDM2-MDMX | MDM2_HUMAN | p53-Binding Protein MDM2 | p53-binding protein | ||
| Type: | Oncoprotein | ||
| Mol. Mass.: | 55196.54 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q00987 | ||
| Residue: | 491 | ||
| Sequence: |
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| BDBM50041031 | |||
| n/a | |||
| Name | BDBM50041031 | ||
| Synonyms: | CHEMBL3355411 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C28H32Cl2FN3O3 | ||
| Mol. Mass. | 548.476 | ||
| SMILES | CCC1(CC)N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:16.18,7.7,30.33,wD:6.30,33.37,(24,-36.43,;23.99,-34.9,;22.65,-34.13,;23.98,-33.36,;23.97,-31.82,;22.5,-32.61,;20.99,-32.29,;20.22,-33.62,;19.12,-32.52,;19.53,-31.02,;18.43,-29.92,;16.93,-30.33,;16.53,-31.84,;15.04,-32.24,;17.63,-32.93,;17.24,-34.42,;21.25,-34.76,;22.17,-36.02,;23.71,-36.02,;21.26,-37.28,;19.79,-36.81,;18.45,-37.58,;17.11,-36.81,;15.78,-37.58,;17.11,-35.27,;18.44,-34.5,;19.78,-35.26,;21.38,-30.79,;20.29,-29.71,;22.87,-30.38,;23.26,-28.9,;22.16,-27.82,;22.56,-26.33,;24.05,-25.93,;24.45,-24.44,;25.14,-27.02,;24.75,-28.5,)| | ||
| Structure | 
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