Reaction Details |
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Target | Mitogen-activated protein kinase kinase kinase 7 |
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Ligand | BDBM50187112 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1587894 (CHEMBL3826555) |
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IC50 | 20000±n/a nM |
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Citation | Muraoka, T; Ide, M; Morikami, K; Irie, M; Nakamura, M; Miura, T; Kamikawa, T; Nishihara, M; Kashiwagi, H Discovery of a potent and highly selective transforming growth factorß receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD). Bioorg Med Chem24:4206-4217 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Mitogen-activated protein kinase kinase kinase 7 |
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Name: | Mitogen-activated protein kinase kinase kinase 7 |
Synonyms: | M3K7_HUMAN | MAP3K7 | Mitogen-activated protein kinase kinase kinase 7 | TAK1 | TAK1/TAB1 | TGF-beta-activated kinase 1 | Transforming growth factor-beta-activated kinase 1 (TAK1) |
Type: | Protein |
Mol. Mass.: | 67199.89 |
Organism: | Homo sapiens (Human) |
Description: | O43318 |
Residue: | 606 |
Sequence: | MSTASAASSSSSSSAGEMIEAPSQVLNFEEIDYKEIEVEEVVGRGAFGVVCKAKWRAKDV
AIKQIESESERKAFIVELRQLSRVNHPNIVKLYGACLNPVCLVMEYAEGGSLYNVLHGAE
PLPYYTAAHAMSWCLQCSQGVAYLHSMQPKALIHRDLKPPNLLLVAGGTVLKICDFGTAC
DIQTHMTNNKGSAAWMAPEVFEGSNYSEKCDVFSWGIILWEVITRRKPFDEIGGPAFRIM
WAVHNGTRPPLIKNLPKPIESLMTRCWSKDPSQRPSMEEIVKIMTHLMRYFPGADEPLQY
PCQYSDEGQSNSATSTGSFMDIASTNTSNKSDTNMEQVPATNDTIKRLESKLLKNQAKQQ
SESGRLSLGASRGSSVESLPPTSEGKRMSADMSEIEARIAATTAYSKPKRGHRKTASFGN
ILDVPEIVISGNGQPRRRSIQDLTVTGTEPGQVSSRSSSPSVRMITTSGPTSEKPTRSHP
WTPDDSTDTNGSDNSIPMAYLTLDHQLQPLAPCPNSKESMAVFEQHCKMAQEYMKVQTEI
ALLLQRKQELVAELDQDEKDQQNTSRLVQEHKKLLDENKSLSTYYQQCKKQLEVIRSQQQ
KRQGTS
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BDBM50187112 |
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n/a |
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Name | BDBM50187112 |
Synonyms: | CHEMBL3823800 |
Type | Small organic molecule |
Emp. Form. | C20H20O8 |
Mol. Mass. | 388.368 |
SMILES | [H][C@]12O[C@@]1([H])C(=O)C1=C([C@@H]2O)C2([H])O[C@H](C)C1([H])[C@]1([H])[C@@H](C)OC=C3[C@H](O)[C@@]4([H])O[C@@]4([H])C(=O)[C@@]213 |r,c:8,t:26,TLB:24:34:8.7:13.14,32:34:8.7:13.14,9:8:34.18:13.14,THB:20:18:8.7:13.14,5:7:34.18:13.14,15:14:34.18:8.7| |
Structure |
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