Reaction Details | |||
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Target | E3 ubiquitin-protein ligase XIAP | ||
Ligand | BDBM50441334 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_988991 (CHEMBL2437637) | ||
IC50 | 32±n/a nM | ||
Citation | Kester, RF; Donnell, AF; Lou, Y; Remiszewski, SW; Lombardo, LJ; Chen, S; Le, NT; Lo, J; Moliterni, JA; Han, X; Hogg, JH; Liang, W; Michoud, C; Rupert, KC; Mischke, S; Le, K; Weisel, M; Janson, CA; Lukacs, CM; Fretland, AJ; Hong, K; Polonskaia, A; Gao, L; Li, S; Solis, DS; Aguilar, D; Tardell, C; Dvorozniak, M; Tannu, S; Lee, EC; Schutt, AD; Goggin, B Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain. J Med Chem56:7788-803 (2013) [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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BDBM50441334 | |||
n/a | |||
Name | BDBM50441334 | ||
Synonyms: | CHEMBL2431755 | CHEMBL2436227 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H32N6O4 | ||
Mol. Mass. | 588.6557 | ||
SMILES | CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C#N)n(-c3ccccc3C#N)c3ccccc23)c2ccccc2OC11CCOCC1 |r,wU:7.6,wD:2.2,(17.87,-35.07,;18.27,-36.56,;19.76,-36.96,;20.15,-38.45,;20.85,-35.87,;20.45,-34.38,;22.33,-36.27,;23.42,-35.18,;24.75,-35.98,;24.6,-37.52,;26.2,-35.44,;27.31,-36.51,;27.32,-38.05,;28.57,-38.95,;30.03,-38.47,;31.49,-37.98,;28.1,-40.42,;29.02,-41.66,;30.54,-41.48,;31.46,-42.72,;30.84,-44.14,;29.31,-44.31,;28.4,-43.07,;26.87,-43.24,;25.33,-43.41,;26.56,-40.43,;25.55,-41.57,;24.05,-41.27,;23.56,-39.81,;24.58,-38.66,;26.08,-38.97,;26.67,-33.98,;28.21,-33.89,;28.9,-32.51,;28.05,-31.22,;26.51,-31.32,;25.83,-32.69,;24.3,-32.55,;23.23,-33.67,;23.24,-32.12,;21.92,-31.34,;20.57,-32.1,;20.56,-33.65,;21.89,-34.44,)| | ||
Structure |