Brief Information of the Compound and Protein
Compound Name
4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide
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PubChem ID
CID: 9915743
SID: 14886227
Canonical SMILES
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
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Compound Formula C30H29ClN6O3
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
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 10117 nM
   TI
   LI
   LO
   TS
CL000157 NCI-H1975 Homo sapiens (Human)  1
1
IC50 < 14 nM
   TI
   LI
   LO
   TS
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 0.58 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 0.02 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.08 nM
2 IC50 = 0.18 nM
3 IC50 = 0.39 nM
4 IC50 = 1 nM
5 IC50 = 2.2 nM
6 IC50 = 90 nM
7 IC50 = 92 nM
8 IC50 = 130 nM
9 Kd = 0.37 nM
10 Kd = 0.61 nM
11 Kd = 0.63 nM
12 Kd = 0.67 nM
13 Kd = 0.91 nM
14 Kd = 0.93 nM
15 Kd = 1 nM
16 Kd = 1.1 nM
17 Kd = 1.5 nM
18 Kd = 2.3 nM
19 Kd = 27 nM