Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
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 PubChem ID
CID: 208908
SID: 14911387
Canonical SMILES
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
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Compound Formula C29H26ClFN4O4S
Compound Structure
Protein Name
 Protein Info 
Receptor tyrosine-protein kinase erbB-2
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase EGFR family
Uniprot ID
P04626
Gene Name
ERBB2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000218 BT-474
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 140 nM
   TI
   LI
   LO
   TS
CL000216 NCI-N87
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 100 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.7 nM
2 IC50 = 4.5 nM
3 IC50 = 9 nM
4 IC50 = 9.2 nM
5 IC50 = 9.8 nM
6 IC50 = 10 nM
7 IC50 = 10.2 nM
8 IC50 = 10.3 nM
9 IC50 = 13 nM
10 IC50 = 23.9 nM
11 IC50 = 29.2 nM
12 IC50 = 36 nM
13 IC50 = 36.3 nM
14 IC50 = 42 nM
15 IC50 = 60 nM
16 IC50 = 95.5 nM
17 IC50 = 540 nM
18 Kd = 7 nM
19 Kd = 11 nM