Brief Information of the Compound and Protein
Compound Name
4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide
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PubChem ID
CID: 216239
SID: 14834034
Canonical SMILES
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
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Compound Formula C21H16ClF3N4O3
Compound Structure
Protein Name
Vascular endothelial growth factor receptor 2
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
TK protein kinase group
>
Tyrosine protein kinase VEGFR family
Uniprot ID
P35968
Gene Name
KDR
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 Homo sapiens (Human)  1
1
IC50 = 180 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  6
1
IC50 = 3 nM
   TI
   LI
   LO
   TS
2
IC50 = 20 nM
   TI
   LI
   LO
   TS
3
IC50 = 42 nM
   TI
   LI
   LO
   TS
4
IC50 = 100 nM
   TI
   LI
   LO
   TS
5
IC50 = 950 nM
   TI
   LI
   LO
   TS
6
IC50 = 1210 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 500 nM
2 IC50 = 0.06 nM
3 IC50 = 0.16 nM
4 IC50 = 0.17 nM
5 IC50 = 0.45 nM
6 IC50 = 0.48 nM
7 IC50 = 0.85 nM
8 IC50 = 1.06 nM
9 IC50 = 1.2 nM
10 IC50 = 1.27 nM
11 IC50 = 1.42 nM
12 IC50 = 3.12 nM
13 IC50 = 3.2 nM
14 IC50 = 6.2 nM
15 IC50 = 10 nM
16 IC50 = 15 nM
17 IC50 = 19 nM
18 IC50 = 20 nM
19 IC50 = 21 nM
20 IC50 = 23 nM
21 IC50 = 25.7 nM
22 IC50 = 27 nM
23 IC50 = 28 nM
24 IC50 = 30 nM
25 IC50 = 37.8 nM
26 IC50 = 46.41 nM
27 IC50 = 51.41 nM
28 IC50 = 52 nM
29 IC50 = 59 nM
30 IC50 = 68 nM
31 IC50 = 72 nM
32 IC50 = 80 nM
33 IC50 = 90 nM
34 IC50 = 92 nM
35 IC50 = 100 nM
36 IC50 = 104.01 nM
37 IC50 = 110 nM
38 IC50 = 113 nM
39 IC50 = 120 nM
40 IC50 = 140.6 nM
41 IC50 = 179.7 nM
42 IC50 = 320 nM
43 IC50 = 420 nM
44 IC50 = 1264.978594 nM
45 Kd = 33 nM
46 Kd = 59 nM
47 Kd = 93 nM
48 Ki = 0.021 nM
49 Ki = 0.12 nM
50 Ki = 22 nM