Brief Information of the Compound and Protein
Compound Name
(2S)-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-(quinoxalin-6-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
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PubChem ID
CID: 127024161
Canonical SMILES
C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)C(=O)N(C)Cc1ccc2nccnc2c1
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Compound Formula C28H26N4O4
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 = 3010 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 36 nM
2 Kd = 6 nM
3 Ki = 16 nM