Brief Information of the Compound and Protein
Compound Name
[(2S)-6-(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone
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PubChem ID
CID: 127024111
Canonical SMILES
C[C@H]1CCc2cc(ccc2N1C(=O)c1ccc(O)cc1O)-c1nc(Cl)nc2[nH]ccc12
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Compound Formula C23H19ClN4O3
Compound Structure
Protein Name
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
Protein Classification
Enzyme
>
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 = 1820 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 135 nM
2 Kd = 9 nM
3 Ki = 640 nM