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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Serine/threonine-protein kinase mTOR | ||
| Ligand | BDBM50433044 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_955789 (CHEMBL2379606) | ||
| Ki | 45±n/a nM | ||
| Citation |  Cheng, H; Hoffman, JE; Le, PT; Pairish, M; Kania, R; Farrell, W; Bagrodia, S; Yuan, J; Sun, S; Zhang, E; Xiang, C; Dalvie, D; Rahavendran, SV Structure-based design, SAR analysis and antitumor activity of PI3K/mTOR dual inhibitors from 4-methylpyridopyrimidinone series. Bioorg Med Chem Lett23:2787-92 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Serine/threonine-protein kinase mTOR | |||
| Name: | Serine/threonine-protein kinase mTOR | ||
| Synonyms: | FK506-binding protein 12-rapamycin complex-associated protein 1 | FKBP12-rapamycin complex-associated protein | FRAP | FRAP 1 (mTOR) | FRAP1 | FRAP2 | MTOR | MTOR_HUMAN | Mammalian Target of Rapamycin (mTOR) | P42345 | RAFT1 | RAPT1 | Rapamycin and FKBP12 target 1 | Rapamycin target protein | Serine/threonine-protein kinase (mTOR) | mTORC2 | ||
| Type: | Rapamycin target protein | ||
| Mol. Mass.: | 288917.12 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P42345 | ||
| Residue: | 2549 | ||
| Sequence: |
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| BDBM50433044 | |||
| n/a | |||
| Name | BDBM50433044 | ||
| Synonyms: | CHEMBL2375963 | US8633204, 304 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H25FN6O4 | ||
| Mol. Mass. | 456.4701 | ||
| SMILES | COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCC(N)=O)c1=O |r,wD:20.21,23.28,(27.43,-30.66,;26.1,-29.89,;24.76,-30.66,;24.76,-32.2,;23.42,-32.96,;22.09,-32.19,;22.09,-30.65,;23.42,-29.88,;23.42,-28.34,;20.75,-32.94,;19.4,-32.16,;18.06,-32.94,;16.73,-32.18,;16.73,-30.64,;15.4,-32.95,;15.4,-34.49,;14.07,-35.26,;16.73,-35.26,;18.06,-34.49,;19.4,-35.27,;19.39,-36.81,;20.72,-37.58,;20.71,-39.12,;19.37,-39.88,;18.05,-39.1,;18.05,-37.57,;19.36,-41.42,;18.02,-42.18,;16.7,-41.41,;15.36,-42.17,;16.71,-39.87,;20.75,-34.5,;22.08,-35.27,)| | ||
| Structure | 
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