Brief Information of the Compound and Protein
Compound Name
5-benzyl-3-fluoro-8-[4-(4-methylpiperazin-1-yl)phenoxy]-11H-benzo[b][1,4]benzodiazepin-6-one
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PubChem ID
CID: 146014465
Canonical SMILES
CN1CCN(CC1)c1ccc(Oc2ccc3Nc4ccc(F)cc4N(Cc4ccccc4)C(=O)c3c2)cc1
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Compound Formula C31H29FN4O2
Compound Structure
Protein Name
Epidermal growth factor receptor
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase EGFR family
Uniprot ID
P00533
Gene Name
EGFR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  4
1
IC50 = 200 nM
   TI
   LI
   LO
   TS
2
IC50 = 360 nM
   TI
   LI
   LO
   TS
3
IC50 = 2700 nM
   TI
   LI
   LO
   TS
4
IC50 = 3200 nM
   TI
   LI
   LO
   TS
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  4
1
IC50 = 11 nM
   TI
   LI
   LO
   TS
2
IC50 = 13 nM
   TI
   LI
   LO
   TS
3
IC50 = 154 nM
   TI
   LI
   LO
   TS
4
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM