Reaction Details
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligand
BDBM377132
Substrate
n/a
Meas. Tech.
PI3Kdelta Scintillation Proximity Assay
IC50
<100±n/a nM
Citation
Combs, AP; Sparks, RB; Maduskuie, Jr., TP Bicyclic azaheterocyclobenzylamines as PI3K inhibitors US Patent US10259818 Publication Date 4/16/2019 More Info.:
Target
Name:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Synonyms:
PI3-kinase p110 subunit delta | PI3-kinase p110-delta subunit | PI3-kinase subunit p110-delta | PI3K | PIK3CD | PK3CD_HUMAN | Phosphatidylinositol 4,5-biphosphate 3-kinase catalytic subunit delta (PIK3CD) | Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit delta | Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit delta (PI3K delta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic (PI3K) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta (PI3Kdelta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform ( PI3K-delta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3K delta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3K) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3K-delta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3Kd) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3Kdelta)
Type:
Enzyme Subunit
Mol. Mass.:
119489.41
Organism:
Homo sapiens (Human)
Description:
O00329
Residue:
1044
Sequence:
MPPGVDCPMEFWTKEENQSVVVDFLLPTGVYLNFPVSRNANLSTIKQLLWHRAQYEPLFHMLSGPEAYVFTCINQTAEQQELEDEQRRLCDVQPFLPVLRLVAREGDRVKKLINSQISLLIGKGLHEFDSLCDPEVNDFRAKMCQFCEEAAARRQQLGWEAWLQYSFPLQLEPSAQTWGPGTLRLPNRALLVNVKFEGSEESFTFQVSTKDVPLALMACALRKKATVFRQPLVEQPEDYTLQVNGRHEYLYGSYPLCQFQYICSCLHSGLTPHLTMVHSSSILAMRDEQSNPAPQVQKPRAKPPPIPAKKPSSVSLWSLEQPFRIELIQGSKVNADERMKLVVQAGLFHGNEMLCKTVSSSEVSVCSEPVWKQRLEFDINICDLPRMARLCFALYAVIEKAKKARSTKKKSKKADCPIAWANLMLFDYKDQLKTGERCLYMWPSVPDEKGELLNPTGTVRSNPNTDSAAALLICLPEVAPHPVYYPALEKILELGRHSECVHVTEEEQLQLREILERRGSGELYEHEKDLVWKLRHEVQEHFPEALARLLLVTKWNKHEDVAQMLYLLCSWPELPVLSALELLDFSFPDCHVGSFAIKSLRKLTDDELFQYLLQLVQVLKYESYLDCELTKFLLDRALANRKIGHFLFWHLRSEMHVPSVALRFGLILEAYCRGSTHHMKVLMKQGEALSKLKALNDFVKLSSQKTPKPQTKELMHLCMRQEAYLEALSHLQSPLDPSTLLAEVCVEQCTFMDSKMKPLWIMYSNEEAGSGGSVGIIFKNGDDLRQDMLTLQMIQLMDVLWKQEGLDLRMTPYGCLPTGDRTGLIEVVLRSDTIANIQLNKSNMAATAAFNKDALLNWLKSKNPGEALDRAIEEFTLSCAGYCVATYVLGIGDRHSDNIMIRESGQLFHIDFGHFLGNFKTKFGINRERVPFILTYDFVHVIQQGKTNNSEKFERFRGYCERAYTILRRHGLLFLHLFALMRAAGLPELSCSKDIQYLKDSLALGKTEEEALKHFRVKFNEALRESWKTKVNWLAHNVSKDNRQ
Inhibitor
Name:
BDBM377132
Synonyms:
3-[9-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimidin-1-yl)ethyl]-7- chloro-6-cyano-2-methyl- 2,3-dihydro-1,4- benzoxazepin-4(5H)-yl]-N- methylcyclobutane- carboxamide | US10259818, Example 114
Type:
Small organic molecule
Emp. Form.:
C25H29ClN8O2
Mol. Mass.:
509.003
SMILES:
CNC(=O)C1CC(C1)N1C[C@H](C)Oc2c(cc(Cl)c(C#N)c2C1)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r,wU:10.11,wD:23.26,(-8.05,6.56,;-7.09,5.36,;-5.57,5.59,;-5.01,7.02,;-4.61,4.38,;-3.08,4.21,;-3.25,2.68,;-4.78,2.85,;-2.29,1.48,;-2.96,.09,;-2.29,-1.3,;-3.25,-2.5,;-.79,-1.64,;.41,-.68,;1.75,-1.45,;3.08,-.68,;3.08,.86,;4.41,1.63,;1.75,1.63,;1.75,3.17,;1.75,4.71,;.41,.86,;-.79,1.82,;1.75,-2.99,;.41,-3.76,;3.08,-3.76,;3.24,-5.29,;4.75,-5.61,;5.37,-7.02,;5.52,-4.28,;7.02,-3.96,;8.05,-5.1,;7.5,-2.49,;6.47,-1.35,;4.96,-1.67,;4.49,-3.14,)|
Structure:
