Brief Information of the Compound and Protein
Compound Name
2-(4-(2-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-pyrazol-1-yl)-2-methylpropanamide
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PubChem ID
CID: 51001932
SID: 117684978
Canonical SMILES
CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(c1)C(C)(C)C(N)=O
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Compound Formula C24H28N8O2
Compound Structure
Protein Name
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein Classification
Enzyme
>
Transferase
Uniprot ID
P42336
Gene Name
PIK3CA
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000481 HCC1954 Homo sapiens (Human)  1
1
EC50 = 24 nM
   TI
   LI
   LO
   TS
CL000918 MCF7-neo/Her2 Homo sapiens (Human)  1
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 31 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 < 0.7 nM
2 Ki = 0.09 nM
3 Ki = 0.29 nM
4 Ki = 0.3 nM