Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
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 PubChem ID
CID: 5494449
SID: 26683796
Canonical SMILES
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
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Compound Formula C23H28N8OS
Compound Structure
Protein Name
 Protein Info 
Aurora kinase A
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
Other protein kinase group
>
Other protein kinase AUR family
Uniprot ID
O14965
Gene Name
AURKA
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 2 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
2
IC50 = 23 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.24 nM
2 IC50 = 0.6 nM
3 IC50 = 0.7 nM
4 IC50 = 0.95 nM
5 IC50 = 1.05 nM
6 IC50 = 1.4 nM
7 IC50 = 1.9 nM
8 IC50 = 2.8 nM
9 IC50 = 6 nM
10 IC50 = 15 nM
11 IC50 = 20 nM
12 IC50 = 30 nM
13 IC50 = 31.62 nM
14 IC50 = 127 nM
15 IC50 = 130 nM
16 Kd = 0.3333 nM
17 Kd = 0.645 nM
18 Kd = 3.9 nM
19 Kd = 4 nM
20 Kd = 4.1 nM
21 Kd = 17 nM
22 Ki = 0.37 nM
23 Ki = 0.6 nM
24 Ki = 0.65 nM
25 Ki = 1 nM