Brief Information of the Compound and Protein
Compound Name
(E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide
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PubChem ID
CID: 6445562
SID: 12015456
Canonical SMILES
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
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Compound Formula C24H23ClFN5O2
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)  2
1
IC50 = 8.02 nM
   TI
   LI
   LO
   TS
2
IC50 = 39 nM
   TI
   LI
   LO
   TS
CL000254 DiFi Homo sapiens (Human)  1
1
IC50 = 79.43 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.24 nM
2 IC50 = 0.6 nM
3 IC50 = 14.5 nM
4 IC50 = 34.9 nM
5 IC50 = 38.5 nM
6 IC50 = 39 nM
7 IC50 = 80 nM
8 IC50 = 83 nM
9 IC50 = 97.6 nM
10 IC50 = 79983.43 nM
11 Kd = 0.23 nM
12 Kd = 0.24 nM
13 Kd = 0.27 nM
14 Kd = 0.33 nM
15 Kd = 0.38 nM
16 Kd = 0.41 nM
17 Kd = 0.42 nM
18 Kd = 0.44 nM
19 Kd = 1 nM