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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | RAC-alpha serine/threonine-protein kinase | ||
| Ligand | BDBM50528436 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1904982 (CHEMBL4407340) | ||
| IC50 | 12±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: |
| ||
| BDBM50528436 | |||
| n/a | |||
| Name | BDBM50528436 | ||
| Synonyms: | CHEMBL4449509 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H22Cl4N4O2 | ||
| Mol. Mass. | 528.258 | ||
| SMILES | Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC=C)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:24.27,(28.2,-6.77,;27.88,-8.27,;26.47,-8.89,;26.63,-10.43,;28.13,-10.75,;28.75,-12.16,;28.91,-9.42,;30.44,-9.26,;31.47,-10.41,;32.88,-9.78,;32.72,-8.25,;31.21,-7.93,;30.59,-6.52,;34.22,-10.56,;34.21,-12.1,;35.55,-9.79,;36.88,-10.56,;36.88,-12.1,;38.21,-12.87,;39.55,-12.11,;40.88,-12.88,;42.21,-12.12,;43.54,-12.89,;39.55,-10.56,;38.22,-9.8,;38.22,-8.26,;36.88,-7.49,;36.89,-5.95,;38.22,-5.18,;38.21,-3.64,;39.55,-5.94,;40.88,-5.17,;39.56,-7.49,)| | ||
| Structure | 
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