Brief Information of the Compound and Protein
Compound Name
5-benzyl-3-fluoro-8-(4-piperazin-1-ylphenyl)-11H-benzo[b][1,4]benzodiazepin-6-one
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PubChem ID
CID: 155338585
Canonical SMILES
Fc1ccc2Nc3ccc(cc3C(=O)N(Cc3ccccc3)c2c1)-c1ccc(cc1)N1CCNCC1
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Compound Formula C30H27FN4O
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 = 770 nM
   TI
   LI
   LO
   TS
2
IC50 = 930 nM
   TI
   LI
   LO
   TS
3
IC50 = 3700 nM
   TI
   LI
   LO
   TS
4
IC50 = 4100 nM
   TI
   LI
   LO
   TS
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  4
1
IC50 = 19 nM
   TI
   LI
   LO
   TS
2
IC50 = 31 nM
   TI
   LI
   LO
   TS
3
IC50 = 150 nM
   TI
   LI
   LO
   TS
4
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 19 nM