Reaction Details |
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Target | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
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Ligand | BDBM50529879 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1910759 (CHEMBL4413205) |
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IC50 | 8300±n/a nM |
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Citation | Wu, DM; Wang, YJ; Fan, SH; Zhang, ZF; Shan, Q; Lu, J; Chen, GQ; Zheng, YL High-throughput screening of novel pyruvate dehydrogenase kinases inhibitors and biological evaluation of their in vitro and in vivo antiproliferative activity. Eur J Med Chem164:252-262 (2019) [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 3, mitochondrial |
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Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
Synonyms: | PDHK3 | PDK3 | PDK3_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 3 (PDK3) | Pyruvate dehydrogenase kinase isoform 3 | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
Type: | Enzyme |
Mol. Mass.: | 46944.89 |
Organism: | Homo sapiens (Human) |
Description: | Q15120 |
Residue: | 406 |
Sequence: | MRLFRWLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLRKELPVRLANT
MREVNLLPDNLLNRPSVGLVQSWYMQSFLELLEYENKSPEDPQVLDNFLQVLIKVRNRHN
DVVPTMAQGVIEYKEKFGFDPFISTNIQYFLDRFYTNRISFRMLINQHTLLFGGDTNPVH
PKHIGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPDKPIQVVYVPSH
LFHMLFELFKNSMRATVELYEDRKEGYPAVKTLVTLGKEDLSIKISDLGGGVPLRKIDRL
FNYMYSTAPRPSLEPTRAAPLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLKA
LSSESFERLPVFNKSAWRHYKTTPEADDWSNPSSEPRDASKYKAKQ
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BDBM50529879 |
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n/a |
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Name | BDBM50529879 |
Synonyms: | CHEMBL4434775 |
Type | Small organic molecule |
Emp. Form. | C17H24N4OS2 |
Mol. Mass. | 364.529 |
SMILES | C[C@H]1CCc2c(C1)sc1nc(SCCN3CCCC3)n(N)c(=O)c21 |r| |
Structure |
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