| Reaction Details |
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 | Report a problem with these data |
| Target | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform |
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| Ligand | BDBM50598037 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2225467 (CHEMBL5138980) |
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| IC50 | 65±n/a nM |
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| Citation |  Fairhurst, RA; Furet, P; Imbach-Weese, P; Stauffer, F; Rueeger, H; McCarthy, C; Ripoche, S; Oswald, S; Arnaud, B; Jary, A; Maira, M; Schnell, C; Guthy, DA; Wartmann, M; Kiffe, M; Desrayaud, S; Blasco, F; Widmer, T; Seiler, F; Gutmann, S; Knapp, M; Caravatti, G Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J Med Chem65:8345-8379 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform |
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| Name: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform |
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| Synonyms: | PI3-kinase subunit beta | PI3K-beta | PI3Kbeta | PK3CB_RAT | Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit beta | Pik3cb | PtdIns-3-kinase subunit beta | PtdIns-3-kinase subunit p110-beta | p110beta |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 122616.58 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | Q9Z1L0 |
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| Residue: | 1070 |
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| Sequence: | MCFRSIMPPAMADTLDIWAVDSQIASDGSISVDFLLPTGIYIQLEVPREATISYIKQMLW
KQVHNYPMFNLLMDIDSYMFACVNQTAVYEELEDETRRLCDVRPFLPVLKLVTRSCDPAE
KLDSKIGVLIGKGLHEFDALKDPEVNEFRRKMRKFSEDKIQSLVGLSWIDWLKHTYPPEH
EPSVLENLEDKLYGGKLVVAVHFENSQDVFSFQVSPNLNPIKINELAIQKRLTIRGKEEE
ASPCDYVLQVSGRVEYVFGDHPLIQFQYIRNCVMNRTLPHFILVECCKIKKMYEQEMIAI
EAAINRNSSSLPLPLPPKKTRVISHVWGNNNPFQIVLVKGNKLNTEETVKVHVRAGLFHG
TELLCKTVVSSEISGKNDHIWNEQLEFDINICDLPRMARLCFAVYAVLDKVKTKKSTKTI
NPSKYQTIRKAGKVHYPVAWVNTMVFDFKGQLRSGDVILHSWSSFPDELEEMLNPMGTVQ
TNPYAENATALHIKFPENKKQPYYYPPFDKIIEKAAEIASGDSANVSSRGGKKFLAVLKE
ILDRDPLSQLCENEMDLIWTLRQDCRENFPQSLPKLLLSIKWNKLEDVAQLQALLQIWPK
LPPREALELLDFNYPDQYVREYAVGCLRQMSDEELSQYLLQLVQVLKYEPFLDCALSRFL
LERALDNRRIGQFLFWHLRSEVHTPAVSIQFGVILEAYCRGSVGHMKVLSKQVEALNKLK
TLNSLIKLNAMKLNRAKGKEAMHTCLKQSAYREALSDLQSPLNPCVILSELYVEKCRYMD
SKMKPLWLVYSNRAFGEDAVGVIFKNGDDLRQDMLTLQMLRLMDLLWKEAGLDLRMLPYG
CLATGDRSGLIEVVSTSETIADIQLNSSNVAATAAFNKDALLNWLKEYNSGDDLDRAIEE
FTLSCAGYCVASYVLGIGDRHSDNIMVKKTGQLFHIDFGHILGNFKSKFGIKRERVPFIL
TYDFIHVIQQGKTGNTEKFGRFRQCCEDAYLILRRHGNLFITLFALMLTAGLPELTSVKD
IQYLKDSLALGKSEEEALKQFKQKFDEALRESWTTKVNWMAHTVRKDYRS
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| BDBM50598037 |
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| n/a |
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| Name | BDBM50598037 |
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| Synonyms: | CHEMBL5203121 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H20F3N7O4 |
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| Mol. Mass. | 455.3911 |
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| SMILES | C[C@H]1OC(=O)N([C@H]1CO)c1nc(cc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1 |r| |
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| Structure | 
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