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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | RAC-alpha serine/threonine-protein kinase | ||
| Ligand | BDBM50528413 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1904982 (CHEMBL4407340) | ||
| IC50 | 7.0±n/a nM | ||
| Citation |  Dong, X; Zhan, W; Zhao, M; Che, J; Dai, X; Wu, Y; Xu, L; Zhou, Y; Zhao, Y; Tian, T; Cheng, G; Jin, Z; Li, J; Shao, Y; He, Q; Yang, B; Weng, Q; Hu, Y Discovery of 3,4,6-Trisubstituted Piperidine Derivatives as Orally Active, Low hERG Blocking Akt Inhibitors via Conformational Restriction and Structure-Based Design. J Med Chem62:7264-7288 (2019) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| RAC-alpha serine/threonine-protein kinase | |||
| Name: | RAC-alpha serine/threonine-protein kinase | ||
| Synonyms: | AKT phosphorylation (p-AKT) | AKT1 | AKT1/PPP1CA | AKT1_HUMAN | C-AKT | PKB | PKB alpha | Protein kinase Akt-1 | Protein kinase B | Protein kinase B (AKT1) | Protein kinase B (Akt 1) | Protein kinase B (Akt) | Protein kinase B alpha | Protein kinase B alpha (AKT1) | Proto-oncogene Akt (Akt1) | Proto-oncogene c-Akt (AKT) | Proto-oncogene c-Akt (AKT1) | RAC | RAC-PK-alpha | RAC-alpha serine/threonine-protein kinase (AKT) | RAC-alpha serine/threonine-protein kinase (AKT1) | RAC-alpha serine/threonine-protein kinase (pAKT) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 55681.25 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P31749 | ||
| Residue: | 480 | ||
| Sequence: |
| ||
| BDBM50528413 | |||
| n/a | |||
| Name | BDBM50528413 | ||
| Synonyms: | CHEMBL4568343 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H24Cl4N4O3 | ||
| Mol. Mass. | 546.274 | ||
| SMILES | COCC[C@@H]1C[C@H]([C@@H](CN1)NC(=O)c1cc(c(Cl)o1)-c1c(Cl)cnn1C)c1ccc(Cl)c(Cl)c1 |r,wU:7.10,4.3,wD:6.28,(49.19,-26.41,;47.85,-27.18,;46.52,-26.4,;45.19,-27.17,;43.85,-26.39,;43.86,-24.85,;42.53,-24.08,;41.19,-24.85,;41.19,-26.38,;42.52,-27.16,;39.86,-24.08,;38.52,-24.84,;38.52,-26.38,;37.19,-24.07,;35.78,-24.69,;34.75,-23.55,;35.52,-22.21,;34.9,-20.81,;37.03,-22.54,;33.21,-23.71,;32.44,-25.04,;33.06,-26.45,;30.94,-24.71,;30.78,-23.18,;32.19,-22.56,;32.51,-21.05,;42.53,-22.55,;41.19,-21.78,;41.2,-20.24,;42.52,-19.47,;42.52,-17.93,;43.86,-20.23,;45.19,-19.46,;43.87,-21.78,)| | ||
| Structure | 
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