Reaction Details | |||
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Target | Serine/threonine-protein kinase mTOR | ||
Ligand | BDBM50320101 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_635345 (CHEMBL1119658) | ||
IC50 | 0.3±n/a nM | ||
Citation | Zhang, N; Ayral-Kaloustian, S; Anderson, JT; Nguyen, T; Das, S; Venkatesan, AM; Brooijmans, N; Lucas, J; Yu, K; Hollander, I; Mallon, R 5-ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer. Bioorg Med Chem Lett20:3526-9 (2010) [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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BDBM50320101 | |||
n/a | |||
Name | BDBM50320101 | ||
Synonyms: | CHEMBL1082621 | N-(2-(dimethylamino)ethyl)-4-(3-(2-((7-fluoro-5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indol-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)ureido)-N-methylbenzamide | ||
Type | Small organic molecule | ||
Emp. Form. | C37H38FN7O5 | ||
Mol. Mass. | 679.7399 | ||
SMILES | COc1cc(F)c2[nH]c(c(\C=C3\Oc4ccc(NC(=O)Nc5ccc(cc5)C(=O)N(C)CCN(C)C)cc4C3=O)c2c1)-c1c(C)nn(C)c1C |(16.64,-8.95,;16.64,-10.49,;17.98,-11.27,;17.98,-12.81,;19.32,-13.58,;19.32,-15.12,;20.65,-12.81,;22.12,-13.28,;23.02,-12.03,;22.12,-10.78,;22.71,-9.36,;21.95,-8.02,;22.57,-6.62,;21.42,-5.6,;21.42,-4.06,;20.1,-3.29,;18.76,-4.07,;17.42,-3.3,;17.42,-1.76,;18.75,-.99,;16.08,-1,;16.07,.53,;17.4,1.31,;17.39,2.84,;16.05,3.6,;14.73,2.81,;14.74,1.29,;16.04,5.13,;17.36,5.91,;14.71,5.89,;14.69,7.42,;13.38,5.11,;12.05,5.87,;10.73,5.09,;9.39,5.85,;10.74,3.56,;18.77,-5.6,;20.1,-6.36,;20.42,-7.87,;19.38,-9.02,;20.65,-11.26,;19.31,-10.49,;24.56,-12.03,;25.46,-13.28,;24.99,-14.74,;26.93,-12.8,;26.93,-11.26,;28.18,-10.35,;25.46,-10.78,;24.99,-9.32,)| | ||
Structure |