Brief Information of the Compound and Protein
Compound Name
N-benzyl-2,4-dihydroxy-N-[4-[(4-methoxyphenyl)methyl-methylcarbamoyl]phenyl]benzamide
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PubChem ID
CID: 127024491
Canonical SMILES
COc1ccc(CN(C)C(=O)c2ccc(cc2)N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1
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Compound Formula C30H28N2O5
Compound Structure
Protein Name
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
Protein Classification
Enzyme
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Kinase
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Protein Kinase
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Atypical protein kinase group
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Atypical protein kinase PDHK subfamily
Uniprot ID
Q15118
Gene Name
PDK1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 10600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 100 nM
2 IC50 = 201 nM
3 Kd = 10 nM
4 Ki = 241 nM