| Reaction Details |
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 | Report a problem with these data |
| Target | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial |
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| Ligand | BDBM50236523 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1659258 (CHEMBL4008870) |
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| KOFF | 0.080000 s-1 |
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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 Chem60:2271-2286 (2017) [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 |
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| Synonyms: | PDHK1 | PDK1 | PDK1_HUMAN | 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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| BDBM50236523 |
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| n/a |
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| Name | BDBM50236523 |
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| Synonyms: | CHEMBL3714988 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H16FNO3 |
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| Mol. Mass. | 301.3122 |
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| SMILES | CC1CCc2cc(F)ccc2N1C(=O)c1ccc(O)cc1O |
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| Structure | 
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