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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] | ||
| Ligand | BDBM602653 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | PI3K-Alpha kinase (PIK3CA) activity, wild-type and H1047R mutant and determining IC50 values for inhibitors | ||
| IC50 | 750±n/a nM | ||
| Citation |  Anderson, ED; Aronow, SD; Boyles, NA; Dahlgren, MK; Feng, S; Gerasyuto, AI; Hickey, ER; Irvin, TC; Kesicki, EA; Klippel-Giese, A; Knight, JL; Kolakowski, GR; Kumar, M; Long, KF; Mayne, CG; McElligott, DL; McLean, JA; Puca, L; Ravi, KK; Severance, DL; Welch, MB; Widjaja, T Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease US Patent US11649227 Publication Date 5/16/2023 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] | |||
| Name: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform [H1047R] | ||
| Synonyms: | PIK3CA | PK3CA_HUMAN | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform mutant | Phosphoinositide 3-Kinase (PI3K), alpha Mutant (H1047R) Chain A | ||
| Type: | Catalytic subunit | ||
| Mol. Mass.: | 124314.42 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P42336 H1047R | ||
| Residue: | 1068 | ||
| Sequence: |
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| BDBM602653 | |||
| n/a | |||
| Name | BDBM602653 | ||
| Synonyms: | 2-[1-[2-(4-Methoxy-2- azabicyclo[2.1.1]hexan-2-yl)-6- methyl-4-oxo-chromen-8- yl]ethylamino]benzoic acid, Isomer 1 | US11649227, Example 111 | US11649227, Example 112 | US20230286960, Example 112 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H26N2O5 | ||
| Mol. Mass. | 434.4843 | ||
| SMILES | COC12CC(C1)N(C2)c1cc(=O)c2cc(C)cc(C(C)Nc3ccccc3C(O)=O)c2o1 |(7.68,-2.11,;6.91,-.77,;5.37,-.77,;4.47,-2.02,;3,-1.54,;4.07,-.77,;2.99,,;4.47,.47,;1.65,.77,;1.65,2.31,;.32,3.08,;.32,4.62,;-1.01,2.31,;-2.35,3.08,;-3.68,2.31,;-5.02,3.08,;-3.68,.77,;-2.35,,;-2.35,-1.54,;-1.01,-2.31,;-3.68,-2.31,;-5.02,-1.54,;-5.02,,;-6.35,.77,;-7.68,,;-7.68,-1.54,;-6.35,-2.31,;-6.35,-3.85,;-7.68,-4.62,;-5.02,-4.62,;-1.01,.77,;.32,,)| | ||
| Structure | 
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