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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 | BDBM602671 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | PI3K-Alpha kinase (PIK3CA) activity, wild-type and H1047R mutant and determining IC50 values for inhibitors | ||
| IC50 | <500±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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| BDBM602671 | |||
| n/a | |||
| Name | BDBM602671 | ||
| Synonyms: | 2-[1-[2-(3- Azabicyclo[3.1.1]heptan-3-yl)- 6-methyl-4-oxo-chromen-8- yl]ethylamino]benzoic acid 2,2,2-trifluoroacetic acid | US11649227, Example 177 | US20230286960, Example 177 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H26N2O4 | ||
| Mol. Mass. | 418.4849 | ||
| SMILES | CC(Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1CC2CC(C2)C1 |(,-2.31,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;-4,,;-5.33,.77,;-6.67,,;-6.67,-1.54,;-5.33,-2.31,;-5.33,-3.85,;-6.67,-4.62,;-4,-4.62,;-1.33,,;-2.67,.77,;-2.67,2.31,;-4,3.08,;-1.33,3.08,;,2.31,;,.77,;1.33,,;2.67,.77,;2.67,2.31,;1.33,3.08,;1.33,4.62,;4,,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;6.67,,;5.33,-.77,;5.33,.77,)| | ||
| Structure | 
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