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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Serine/threonine-protein kinase mTOR | ||
| Ligand | BDBM50433030 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_955789 (CHEMBL2379606) | ||
| Ki | 4.5±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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| BDBM50433030 | |||
| n/a | |||
| Name | BDBM50433030 | ||
| Synonyms: | CHEMBL2376093 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H24N6O4 | ||
| Mol. Mass. | 412.4424 | ||
| SMILES | COc1ncc(cn1)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCO)c1=O |r,wD:19.20,22.27,(52.42,-2.69,;51.08,-1.92,;49.75,-2.69,;49.75,-4.23,;48.41,-4.99,;47.08,-4.21,;47.08,-2.68,;48.41,-1.91,;45.74,-4.97,;44.39,-4.19,;43.06,-4.97,;41.72,-4.21,;41.72,-2.67,;40.39,-4.98,;40.39,-6.52,;39.06,-7.29,;41.72,-7.29,;43.05,-6.52,;44.39,-7.3,;44.38,-8.84,;45.71,-9.6,;45.7,-11.15,;44.36,-11.91,;43.04,-11.13,;43.04,-9.6,;44.35,-13.45,;43.01,-14.21,;41.69,-13.43,;45.74,-6.53,;47.07,-7.3,)| | ||
| Structure | 
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