Reaction Details 
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligand
BDBM50393336
Substrate
n/a
Meas. Tech.
ChEMBL_852010 (CHEMBL2157135)
IC50
>10000±n/a nM
Citation
Leahy, JW; Buhr, CA; Johnson, HW; Kim, BG; Baik, T; Cannoy, J; Forsyth, TP; Jeong, JW; Lee, MS; Ma, S; Noson, K; Wang, L; Williams, M; Nuss, JM; Brooks, E; Foster, P; Goon, L; Heald, N; Holst, C; Jaeger, C; Lam, S; Lougheed, J; Nguyen, L; Plonowski, A; Song, J; Stout, T; Wu, X; Yakes, MF; Yu, P; Zhang, W; Lamb, P; Raeber, O Discovery of a novel series of potent and orally bioavailable phosphoinositide 3-kinase¿ inhibitors. J Med Chem 55:5467-82 (2012) [PubMed] ArticleMore Info.:
Target
Name:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Synonyms:
PI3-kinase p110 subunit beta | PI3-kinase subunit p110-beta | PI3Kbeta | PIK3C1 | PIK3CB | PK3CB_HUMAN | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta (PI3Kbeta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3K beta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3K) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3K-beta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3Kbeta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (PI3Kÿ²) | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit beta isoform | Phosphoinositide 3-Kinase (PI3K), beta | Phosphoinositide 3-Kinase (PI3K), beta Chain A | Phosphoinositide-3-kinase (PI3K beta) | PtdIns-3-kinase p110
Type:
Enzyme Subunit
Mol. Mass.:
122769.00
Organism:
Homo sapiens (Human)
Description:
P42338
Residue:
1070
Sequence:
MCFSFIMPPAMADILDIWAVDSQIASDGSIPVDFLLPTGIYIQLEVPREATISYIKQMLWKQVHNYPMFNLLMDIDSYMFACVNQTAVYEELEDETRRLCDVRPFLPVLKLVTRSCDPGEKLDSKIGVLIGKGLHEFDSLKDPEVNEFRRKMRKFSEEKILSLVGLSWMDWLKQTYPPEHEPSIPENLEDKLYGGKLIVAVHFENCQDVFSFQVSPNMNPIKVNELAIQKRLTIHGKEDEVSPYDYVLQVSGRVEYVFGDHPLIQFQYIRNCVMNRALPHFILVECCKIKKMYEQEMIAIEAAINRNSSNLPLPLPPKKTRIISHVWENNNPFQIVLVKGNKLNTEETVKVHVRAGLFHGTELLCKTIVSSEVSGKNDHIWNEPLEFDINICDLPRMARLCFAVYAVLDKVKTKKSTKTINPSKYQTIRKAGKVHYPVAWVNTMVFDFKGQLRTGDIILHSWSSFPDELEEMLNPMGTVQTNPYTENATALHVKFPENKKQPYYYPPFDKIIEKAAEIASSDSANVSSRGGKKFLPVLKEILDRDPLSQLCENEMDLIWTLRQDCREIFPQSLPKLLLSIKWNKLEDVAQLQALLQIWPKLPPREALELLDFNYPDQYVREYAVGCLRQMSDEELSQYLLQLVQVLKYEPFLDCALSRFLLERALGNRRIGQFLFWHLRSEVHIPAVSVQFGVILEAYCRGSVGHMKVLSKQVEALNKLKTLNSLIKLNAVKLNRAKGKEAMHTCLKQSAYREALSDLQSPLNPCVILSELYVEKCKYMDSKMKPLWLVYNNKVFGEDSVGVIFKNGDDLRQDMLTLQMLRLMDLLWKEAGLDLRMLPYGCLATGDRSGLIEVVSTSETIADIQLNSSNVAAAAAFNKDALLNWLKEYNSGDDLDRAIEEFTLSCAGYCVASYVLGIGDRHSDNIMVKKTGQLFHIDFGHILGNFKSKFGIKRERVPFILTYDFIHVIQQGKTGNTEKFGRFRQCCEDAYLILRRHGNLFITLFALMLTAGLPELTSVKDIQYLKDSLALGKSEEEALKQFKQKFDEALRESWTTKVNWMAHTVRKDYRS
Inhibitor
Name:
BDBM50393336
Synonyms:
CHEMBL2152128
Type:
Small organic molecule
Emp. Form.:
C13H11F3N4O
Mol. Mass.:
296.2478
SMILES:
CNC(=O)c1nc(cnc1N)-c1cccc(c1)C(F)(F)F
Structure:
