Reaction Details | |||
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Target | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | ||
Ligand | BDBM50433037 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_955790 (CHEMBL2379607) | ||
Ki | 1.8±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 | ||
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | |||
Name: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | ||
Synonyms: | PI3-kinase p110 subunit alpha | PI3-kinase p110-alpha subunit | PI3K | PK3CA_MOUSE | Phosphatidylinositol 3-kinase p110α (p110α) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3K alpha) | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Pik3ca | PtdIns-3-kinase p110 | ||
Type: | Protein | ||
Mol. Mass.: | 124421.84 | ||
Organism: | Mus musculus (Mouse) | ||
Description: | P42337 | ||
Residue: | 1068 | ||
Sequence: |
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BDBM50433037 | |||
n/a | |||
Name | BDBM50433037 | ||
Synonyms: | CHEMBL2375956 | US8633204, 311 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H25N7O4 | ||
Mol. Mass. | 439.4677 | ||
SMILES | COc1ncc(cn1)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCC(N)=O)c1=O |r,wU:22.27,wD:19.20,(40.72,-44.52,;39.39,-43.75,;38.06,-44.52,;38.05,-46.06,;36.72,-46.82,;35.39,-46.05,;35.39,-44.51,;36.72,-43.74,;34.05,-46.8,;32.7,-46.02,;31.36,-46.8,;30.03,-46.04,;30.02,-44.5,;28.7,-46.81,;28.7,-48.35,;27.36,-49.12,;30.03,-49.12,;31.36,-48.35,;32.7,-49.13,;32.69,-50.67,;31.35,-51.43,;31.34,-52.96,;32.67,-53.74,;34.01,-52.98,;34.02,-51.44,;32.66,-55.28,;31.32,-56.04,;29.99,-55.26,;28.66,-56.03,;30,-53.73,;34.05,-48.36,;35.38,-49.13,)| | ||
Structure |