| 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 | BDBM50032649 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1441713 (CHEMBL3378284) |
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| IC50 | 1417±n/a nM |
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| Citation |  Meng, T; Zhang, D; Xie, Z; Yu, T; Wu, S; Wyder, L; Regenass, U; Hilpert, K; Huang, M; Geng, M; Shen, J Discovery and optimization of 4,5-diarylisoxazoles as potent dual inhibitors of pyruvate dehydrogenase kinase and heat shock protein 90. J Med Chem57:9832-43 (2014) [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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| BDBM50032649 |
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| n/a |
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| Name | BDBM50032649 |
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| Synonyms: | CHEMBL3354670 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H22Cl3N3O5 |
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| Mol. Mass. | 586.85 |
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| SMILES | Oc1ccc(cc1)-c1c(\C=C\C(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)noc1-c1cc(Cl)c(O)cc1O |
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| Structure | 
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