| Reaction Details |
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 | Report a problem with these data |
| Target | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial |
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| Ligand | BDBM50080092 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_160230 (CHEMBL764813) |
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| IC50 | 120000±n/a nM |
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| Citation |  Aicher, TD; Damon, RE; Koletar, J; Vinluan, CC; Brand, LJ; Gao, J; Shetty, SS; Kaplan, EL; Mann, WR Triterpene and diterpene inhibitors of pyruvate dehydrogenase kinase (PDK). Bioorg Med Chem Lett9:2223-8 (1999) [PubMed] |
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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,/2,/3,/4, mitochondrial |
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| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial |
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| Synonyms: | Pyruvate dehydrogenase kinase |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 160230 |
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| Components: | This complex has 4 components. |
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| Component 1 |
| 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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| Component 2 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial |
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| Synonyms: | PDHK4 | PDK4 | PDK4_HUMAN | Pyruvate dehydrogenase kinase | Pyruvate dehydrogenase kinase 4 (PDK4) | Pyruvate dehydrogenase kinase isoform 4 |
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| Type: | Enzyme |
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| Mol. Mass.: | 46469.71 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q16654 |
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| Residue: | 411 |
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| Sequence: | MKAARFVLRSAGSLNGAGLVPREVEHFSRYSPSPLSMKQLLDFGSENACERTSFAFLRQE
LPVRLANILKEIDILPTQLVNTSSVQLVKSWYIQSLMDLVEFHEKSPDDQKALSDFVDTL
IKVRNRHHNVVPTMAQGIIEYKDACTVDPVTNQNLQYFLDRFYMNRISTRMLMNQHILIF
SDSQTGNPSHIGSIDPNCDVVAVVQDAFECSRMLCDQYYLSSPELKLTQVNGKFPDQPIH
IVYVPSHLHHMLFELFKNAMRATVEHQENQPSLTPIEVIVVLGKEDLTIKISDRGGGVPL
RIIDRLFSYTYSTAPTPVMDNSRNAPLAGFGYGLPISRLYAKYFQGDLNLYSLSGYGTDA
IIYLKALSSESIEKLPVFNKSAFKHYQMSSEADDWCIPSREPKNLAKEVAM
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| Component 3 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial |
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| Synonyms: | PDHK2 | PDK2 | PDK2_HUMAN | Pyruvate dehydrogenase kinase 2 (PDK2) | Pyruvate dehydrogenase kinase isoenzyme 1 (PDK2) |
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| Type: | Enzyme |
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| Mol. Mass.: | 46153.78 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q15119 |
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| Residue: | 407 |
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| Sequence: | MRWVWALLKNASLAGAPKYIEHFSKFSPSPLSMKQFLDFGSSNACEKTSFTFLRQELPVR
LANIMKEINLLPDRVLSTPSVQLVQSWYVQSLLDIMEFLDKDPEDHRTLSQFTDALVTIR
NRHNDVVPTMAQGVLEYKDTYGDDPVSNQNIQYFLDRFYLSRISIRMLINQHTLIFDGST
NPAHPKHIGSIDPNCNVSEVVKDAYDMAKLLCDKYYMASPDLEIQEINAANSKQPIHMVY
VPSHLYHMLFELFKNAMRATVESHESSLILPPIKVMVALGEEDLSIKMSDRGGGVPLRKI
ERLFSYMYSTAPTPQPGTGGTPLAGFGYGLPISRLYAKYFQGDLQLFSMEGFGTDAVIYL
KALSTDSVERLPVYNKSAWRHYQTIQEAGDWCVPSTEPKNTSTYRVS
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| Component 4 |
| Name: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 46944.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q15120 |
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| Residue: | 406 |
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| Sequence: | MRLFRWLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLRKELPVRLANT
MREVNLLPDNLLNRPSVGLVQSWYMQSFLELLEYENKSPEDPQVLDNFLQVLIKVRNRHN
DVVPTMAQGVIEYKEKFGFDPFISTNIQYFLDRFYTNRISFRMLINQHTLLFGGDTNPVH
PKHIGSIDPTCNVADVVKDAYETAKMLCEQYYLVAPELEVEEFNAKAPDKPIQVVYVPSH
LFHMLFELFKNSMRATVELYEDRKEGYPAVKTLVTLGKEDLSIKISDLGGGVPLRKIDRL
FNYMYSTAPRPSLEPTRAAPLAGFGYGLPISRLYARYFQGDLKLYSMEGVGTDAVIYLKA
LSSESFERLPVFNKSAWRHYKTTPEADDWSNPSSEPRDASKYKAKQ
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| BDBM50080092 |
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| n/a |
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| Name | BDBM50080092 |
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| Synonyms: | (17beta)-17-hydroxyestr-4-en-3-one | 17beta-hydroxy-19-nor-4-androsten-3-one | 17beta-hydroxy-4-estren-3-one | 17beta-hydroxyestr-4-en-3-one | 19-Norandrostenolone | 19-Nortestosterone | 4-estren-17beta-ol-3-one | CHEMBL757 | Nandrolone |
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| Type | Small organic molecule |
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| Emp. Form. | C18H26O2 |
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| Mol. Mass. | 274.3978 |
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| SMILES | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O |r,t:8| |
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| Structure | 
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