Brief Information of the Compound and Protein
Compound Name
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-6,6-dimethyl-3-[(2-methylthieno[3,2-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
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PubChem ID
CID: 25227462
SID: 136350046
Canonical SMILES
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)[nH]nc2C1(C)C)c1ccccc1
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Compound Formula C25H30N8OS
Compound Structure
Protein Name
Serine/threonine-protein kinase PAK 4
Protein Classification
Enzyme
>
Kinase
>
Protein Kinase
>
STE protein kinase group
>
STE protein kinase STE20 family
>
STE protein kinase PAKB subfamily
Uniprot ID
O96013
Gene Name
PAK4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 38 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 < 3.9 nM
2 IC50 = 15 nM
3 IC50 = 18 nM
4 IC50 = 18.7 nM
5 IC50 = 24 nM
6 IC50 = 24.2 nM
7 IC50 = 38 nM
8 Kd = 2.7 nM
9 Ki = 15 nM
10 Ki = 20 nM
11 Ki = 36 nM