Brief Information of the Compound and Protein
Compound Name
4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid
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PubChem ID
CID: 11712649
SID: 16817521
Canonical SMILES
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1
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Compound Formula C25H15ClF2N4O2
Compound Structure
Protein Name
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
CL000067 HCT 116 Homo sapiens (Human)  3
1
IC50 = 34 nM
   TI
   LI
   LO
   TS
2
IC50 = 160 nM
   TI
   LI
   LO
   TS
3
IC50 = 310 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.5 nM
2 IC50 = 4 nM
3 Kd = 0.3467 nM
4 Kd = 0.9133 nM
5 Kd = 6.5 nM