Reaction Details |
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Target | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform |
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Ligand | BDBM50598033 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2225467 (CHEMBL5138980) |
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IC50 | 157±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 |
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 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 122616.58 |
Organism: | Rattus norvegicus (Rat) |
Description: | Q9Z1L0 |
Residue: | 1070 |
Sequence: | MCFRSIMPPAMADTLDIWAVDSQIASDGSISVDFLLPTGIYIQLEVPREATISYIKQMLW
KQVHNYPMFNLLMDIDSYMFACVNQTAVYEELEDETRRLCDVRPFLPVLKLVTRSCDPAE
KLDSKIGVLIGKGLHEFDALKDPEVNEFRRKMRKFSEDKIQSLVGLSWIDWLKHTYPPEH
EPSVLENLEDKLYGGKLVVAVHFENSQDVFSFQVSPNLNPIKINELAIQKRLTIRGKEEE
ASPCDYVLQVSGRVEYVFGDHPLIQFQYIRNCVMNRTLPHFILVECCKIKKMYEQEMIAI
EAAINRNSSSLPLPLPPKKTRVISHVWGNNNPFQIVLVKGNKLNTEETVKVHVRAGLFHG
TELLCKTVVSSEISGKNDHIWNEQLEFDINICDLPRMARLCFAVYAVLDKVKTKKSTKTI
NPSKYQTIRKAGKVHYPVAWVNTMVFDFKGQLRSGDVILHSWSSFPDELEEMLNPMGTVQ
TNPYAENATALHIKFPENKKQPYYYPPFDKIIEKAAEIASGDSANVSSRGGKKFLAVLKE
ILDRDPLSQLCENEMDLIWTLRQDCRENFPQSLPKLLLSIKWNKLEDVAQLQALLQIWPK
LPPREALELLDFNYPDQYVREYAVGCLRQMSDEELSQYLLQLVQVLKYEPFLDCALSRFL
LERALDNRRIGQFLFWHLRSEVHTPAVSIQFGVILEAYCRGSVGHMKVLSKQVEALNKLK
TLNSLIKLNAMKLNRAKGKEAMHTCLKQSAYREALSDLQSPLNPCVILSELYVEKCRYMD
SKMKPLWLVYSNRAFGEDAVGVIFKNGDDLRQDMLTLQMLRLMDLLWKEAGLDLRMLPYG
CLATGDRSGLIEVVSTSETIADIQLNSSNVAATAAFNKDALLNWLKEYNSGDDLDRAIEE
FTLSCAGYCVASYVLGIGDRHSDNIMVKKTGQLFHIDFGHILGNFKSKFGIKRERVPFIL
TYDFIHVIQQGKTGNTEKFGRFRQCCEDAYLILRRHGNLFITLFALMLTAGLPELTSVKD
IQYLKDSLALGKSEEEALKQFKQKFDEALRESWTTKVNWMAHTVRKDYRS
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BDBM50598033 |
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n/a |
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Name | BDBM50598033 |
Synonyms: | CHEMBL5202872 |
Type | Small organic molecule |
Emp. Form. | C17H18F3N7O4 |
Mol. Mass. | 441.3645 |
SMILES | Nc1ncc(-c2cc(nc(n2)N2C[C@@H](CO)OC2=O)N2CCOCC2)c(n1)C(F)(F)F |r| |
Structure |
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