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Target
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
Ligand
BDBM50236533
Substrate
n/a
Meas. Tech.
ChEMBL_1659262 (CHEMBL4008874)
IC50
66±n/a nM
Citation
 Brough, PA; Baker, L; Bedford, S; Brown, K; Chavda, S; Chell, V; D'Alessandro, J; Davies, NG; Davis, B; Le Strat, L; Macias, AT; Maddox, D; Mahon, PC; Massey, AJ; Matassova, N; McKenna, S; Meissner, JW; Moore, JD; Murray, JB; Northfield, CJ; Parry, C; Parsons, R; Roughley, SD; Shaw, T; Simmonite, H; Stokes, S; Surgenor, A; Stefaniak, E; Robertson, A; Wang, Y; Webb, P; Whitehead, N; Wood, M Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase. J Med Chem 60:2271-2286 (2017) [PubMed]  Article 
Target
Name:
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
Synonyms:
PDHK1 | PDK1 | PDK1_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 1 (PDK1) | Pyruvate dehydrogenase kinase isoform 1
Type:
Protein
Mol. Mass.:
49255.23
Organism:
Homo sapiens (Human)
Description:
Q15118
Residue:
436
Sequence:
MRLARLLRGAALAGPGPGLRAAGFSRSFSSDSGSSPASERGVPGQVDFYARFSPSPLSMKQFLDFGSVNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQELLDFKDKSAEDAKAIYDFTDTVIRIRNRHNDVIPTMAQGVIEYKESFGVDPVTSQNVQYFLDRFYMSRISIRMLLNQHSLLFGGKGKGSPSHRKHIGSINPNCNVLEVIKDGYENARRLCDLYYINSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHANRGVYPPIQVHVTLGNEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLPISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTDSIERLPVYNKAAWKHYNTNHEADDWCVPSREPKDMTTFRSA
  
Inhibitor
Name:
BDBM50236533
Synonyms:
CHEMBL316388
Type:
Small organic molecule
Emp. Form.:
C18H20F3N3O3
Mol. Mass.:
383.3649
SMILES:
C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r|
Structure:
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