Target
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Ligand
BDBM50530904
Substrate
n/a
Meas. Tech.
ChEMBL_1914103 (CHEMBL4416686)
IC50
1000±n/a nM
Citation
 Barnes, LBlaber, HBrooks, DTKByers, LBuckley, DByron, ZCChilvers, RGCochrane, LCooney, EDamian, HAFrancis, LFu He, DGrace, JMJGreen, HJHogarth, EJPJusu, LKillalea, CEKing, OLambert, JLee, ZJLima, NSLong, CLMackinnon, MLMahdy, SMatthews-Wright, JMillward, MJMeehan, MFMerrett, CMorrison, LParke, HRIPayne, CPayne, LPike, CSeal, ASenior, AJSmith, KMStanelyte, KStillibrand, JSzpara, RTaday, FFHThreadgould, AMTrainor, RJWaters, JWilliams, OWong, CKWWood, KBarton, NGruszka, AHenley, ZRowedder, JECookson, RJones, KLNadin, ASmith, IEMacdonald, SJFNortcliffe, A Free-Wilson Analysis of Comprehensive Data on Phosphoinositide-3-kinase (PI3K) Inhibitors Reveals Importance of  J Med Chem 62:10402-10422 (2019) [PubMed]  Article 
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:
BDBM50530904
Synonyms:
CHEMBL4456577
Type:
Small organic molecule
Emp. Form.:
C28H34N6O3S
Mol. Mass.:
534.673
SMILES:
COCC(=O)N(C)C1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ccc23)CC1
Structure:
Search PDB for entries with ligand similarity: