Brief Information of the Compound and Protein
Compound Name
4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
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PubChem ID
CID: 17755052
SID: 29212926
Canonical SMILES
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
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Compound Formula C23H27N7O3S2
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
CL000918 MCF7-neo/Her2 Homo sapiens (Human)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  3
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
2
Ki = 2.6 nM
   TI
   LI
   LO
   TS
3
Ki = 10.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.1 nM
2 IC50 = 3 nM
3 IC50 = 4.7 nM
4 IC50 = 6.5 nM
5 IC50 = 7 nM
6 IC50 = 33 nM
7 IC50 = 50.12 nM
8 IC50 = 251.19 nM
9 Kd = 0.76 nM
10 Kd = 0.86 nM
11 Kd = 1.1 nM
12 Kd = 1.2 nM
13 Kd = 1.5 nM
14 Kd = 1.7 nM
15 Kd = 3.7 nM
16 Kd = 4.1 nM
17 Kd = 4.5 nM
18 Kd = 7.1 nM