| Reaction Details |
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 | Report a problem with these data |
| Target | Phosphatidylinositol 3-kinase catalytic subunit type 3 |
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| Ligand | BDBM602728 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | PI3K-Alpha kinase (PIK3CA) activity, wild-type and H1047R mutant and determining IC50 values for inhibitors |
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| IC50 | 450±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Phosphatidylinositol 3-kinase catalytic subunit type 3 |
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| Name: | Phosphatidylinositol 3-kinase catalytic subunit type 3 |
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| Synonyms: | BC033004 | PI3K type 3 | PIK3C3 | PK3C3_HUMAN | Phosphatidylinositol 3-kinase catalytic subunit type 3 (PIK3C3) | Phosphatidylinositol 3-kinase p100 subunit | Phosphoinositide 3-Kinase (PI3K), Vps34 | Phosphoinositide-3-kinase class 3 | PtdIns-3-kinase type 3 | VPS34 | hVPS34 |
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| Type: | Enzyme |
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| Mol. Mass.: | 101551.30 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Recombinant human Vps34 protein was expressed as monomeric GST-fusion and purified. |
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| Residue: | 887 |
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| Sequence: | MGEAEKFHYIYSCDLDINVQLKIGSLEGKREQKSYKAVLEDPMLKFSGLYQETCSDLYVT
CQVFAEGKPLALPVRTSYKAFSTRWNWNEWLKLPVKYPDLPRNAQVALTIWDVYGPGKAV
PVGGTTVSLFGKYGMFRQGMHDLKVWPNVEADGSEPTKTPGRTSSTLSEDQMSRLAKLTK
AHRQGHMVKVDWLDRLTFREIEMINESEKRSSNFMYLMVEFRCVKCDDKEYGIVYYEKDG
DESSPILTSFELVKVPDPQMSMENLVESKHHKLARSLRSGPSDHDLKPNAATRDQLNIIV
SYPPTKQLTYEEQDLVWKFRYYLTNQEKALTKFLKCVNWDLPQEAKQALELLGKWKPMDV
EDSLELLSSHYTNPTVRRYAVARLRQADDEDLLMYLLQLVQALKYENFDDIKNGLEPTKK
DSQSSVSENVSNSGINSAEIDSSQIITSPLPSVSSPPPASKTKEVPDGENLEQDLCTFLI
SRACKNSTLANYLYWYVIVECEDQDTQQRDPKTHEMYLNVMRRFSQALLKGDKSVRVMRS
LLAAQQTFVDRLVHLMKAVQRESGNRKKKNERLQALLGDNEKMNLSDVELIPLPLEPQVK
IRGIIPETATLFKSALMPAQLFFKTEDGGKYPVIFKHGDDLRQDQLILQIISLMDKLLRK
ENLDLKLTPYKVLATSTKHGFMQFIQSVPVAEVLDTEGSIQNFFRKYAPSENGPNGISAE
VMDTYVKSCAGYCVITYILGVGDRHLDNLLLTKTGKLFHIDFGYILGRDPKPLPPPMKLN
KEMVEGMGGTQSEQYQEFRKQCYTAFLHLRRYSNLILNLFSLMVDANIPDIALEPDKTVK
KVQDKFRLDLSDEEAVHYMQSLIDESVHALFAAVVEQIHKFAQYWRK
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| BDBM602728 |
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| n/a |
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| Name | BDBM602728 |
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| Synonyms: | 2-[1-(2-Isoindolin-2-yl-6-methyl-4-oxo-chromen-8-yl)ethylamino]benzoic acid | US11649227, Example 363 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H24N2O4 |
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| Mol. Mass. | 440.4905 |
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| SMILES | C[C@H](Nc1ccccc1C(O)=O)c1cc(C)cc2c1oc(cc2=O)N1Cc2ccccc2C1 |r| |
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| Structure | 
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