Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
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 PubChem ID
CID: 176870
SID: 14878691
Canonical SMILES
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
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Compound Formula C22H23N3O4
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
CL000068 A-549
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 64 nM
   TI
   LI
   LO
   TS
CL000218 BT-474
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6730 nM
   TI
   LI
   LO
   TS
CL000216 NCI-N87
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 5200 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  5
1
IC50 = 91 nM
   TI
   LI
   LO
   TS
2
IC50 = 120 nM
   TI
   LI
   LO
   TS
3
IC50 = 140 nM
   TI
   LI
   LO
   TS
4
IC50 = 160 nM
   TI
   LI
   LO
   TS
5
IC50 = 200 nM
   TI
   LI
   LO
   TS
CL000203 T24
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 299 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 120 nM
2 IC50 = 134.5 nM
3 IC50 = 160 nM
4 IC50 = 300 nM
5 IC50 = 350 nM
6 IC50 = 369 nM
7 IC50 = 370 nM
8 IC50 = 410 nM
9 IC50 = 513 nM
10 IC50 = 760 nM
11 IC50 = 870 nM
12 IC50 = 3500 nM
13 IC50 > 1000 nM
14 Kd = 2900 nM
15 Kd = 5100 nM
16 Kd > 10000 nM