| Reaction Details |
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 | Report a problem with these data |
| Target | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
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| Ligand | BDBM50236519 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1659255 |
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| Ki | 37±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
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| Name: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
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| Synonyms: | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 1 (PDK1) | Pyruvate dehydrogenase kinase isoform 1 |
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| Type: | Protein |
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| Mol. Mass.: | 49255.23 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q15118 |
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| Residue: | 436 |
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| Sequence: | MRLARLLRGAALAGPGPGLRAAGFSRSFSSDSGSSPASERGVPGQVDFYARFSPSPLSMK
QFLDFGSVNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQE
LLDFKDKSAEDAKAIYDFTDTVIRIRNRHNDVIPTMAQGVIEYKESFGVDPVTSQNVQYF
LDRFYMSRISIRMLLNQHSLLFGGKGKGSPSHRKHIGSINPNCNVLEVIKDGYENARRLC
DLYYINSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHANRGVYPP
IQVHVTLGNEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLP
ISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTDSIERLPVYNKAAWKHYNTNHEADDW
CVPSREPKDMTTFRSA
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| BDBM50236519 |
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| n/a |
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| Name | BDBM50236519 |
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| Synonyms: | CHEMBL3727843 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H29ClN4O3 |
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| Mol. Mass. | 529.029 |
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| SMILES | Cc1cnc(Cl)nc1-c1ccc(cc1)N(Cc1ccc(CN2CCCC2)cc1)C(=O)c1ccc(O)cc1O |
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| Structure | 
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