Reaction Details |
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Target | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
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Ligand | BDBM50599594 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2231160 (CHEMBL5144932) |
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IC50 | 4400±n/a nM |
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Citation | Andrews, DM; Cartic, S; Cosulich, S; Divecha, N; Faulder, P; Flemington, V; Kern, O; Kettle, JG; MacDonald, E; McKelvie, J; Pike, KG; Roberts, B; Rowlinson, R; Smith, JM; Stockley, M; Swarbrick, ME; Treinies, I; Waring, MJ Identification and optimization of a novel series of selective PIP5K inhibitors. Bioorg Med Chem54:0 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
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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: | MRLARLLRGAALAGPGPGLRAAGFSRSFSSDSGSSPASERGVPGQVDFYARFSPSPLSMK
QFLDFGSVNACEKTSFMFLRQELPVRLANIMKEISLLPDNLLRTPSVQLVQSWYIQSLQE
LLDFKDKSAEDAKAIYDFTDTVIRIRNRHNDVIPTMAQGVIEYKESFGVDPVTSQNVQYF
LDRFYMSRISIRMLLNQHSLLFGGKGKGSPSHRKHIGSINPNCNVLEVIKDGYENARRLC
DLYYINSPELELEELNAKSPGQPIQVVYVPSHLYHMVFELFKNAMRATMEHHANRGVYPP
IQVHVTLGNEDLTVKMSDRGGGVPLRKIDRLFNYMYSTAPRPRVETSRAVPLAGFGYGLP
ISRLYAQYFQGDLKLYSLEGYGTDAVIYIKALSTDSIERLPVYNKAAWKHYNTNHEADDW
CVPSREPKDMTTFRSA
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BDBM50599594 |
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n/a |
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Name | BDBM50599594 |
Synonyms: | CHEMBL5171272 |
Type | Small organic molecule |
Emp. Form. | C25H26N4O3 |
Mol. Mass. | 430.4989 |
SMILES | CNC(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1 |
Structure |
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