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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | ||
| Ligand | BDBM50438335 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_973540 (CHEMBL2410824) | ||
| IC50 | 9.0±n/a nM | ||
| Citation |  Hornberger, KR; Chen, X; Crew, AP; Kleinberg, A; Ma, L; Mulvihill, MJ; Wang, J; Wilde, VL; Albertella, M; Bittner, M; Cooke, A; Kadhim, S; Kahler, J; Maresca, P; May, E; Meyn, P; Romashko, D; Tokar, B; Turton, R Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: optimization of kinase selectivity and pharmacokinetics. Bioorg Med Chem Lett23:4511-6 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | |||
| Name: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | ||
| Synonyms: | Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 | TAK1-TAB1 | TAK1/TAB1 | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of EBI is 739577 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | ||
| Synonyms: | MAP3K7IP1 | Mitogen-activated protein kinase kinase kinase 7-interacting protein 1 | TAB1 | TAB1_HUMAN | TAK1-binding protein 1 | TGF-beta-activated kinase 1-binding protein1 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 54633.89 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q15750 | ||
| Residue: | 504 | ||
| Sequence: |
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| Component 2 | |||
| 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: |
| ||
| BDBM50438335 | |||
| n/a | |||
| Name | BDBM50438335 | ||
| Synonyms: | CHEMBL2408610 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H20N6O2S | ||
| Mol. Mass. | 432.498 | ||
| SMILES | Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2cc(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(9.91,-9.17,;11.37,-8.7,;12.51,-9.73,;13.97,-9.25,;14.29,-7.76,;15.76,-7.28,;16.23,-5.82,;17.77,-5.82,;18.25,-7.28,;17,-8.19,;19.71,-7.76,;20.03,-9.27,;21.48,-9.75,;22.63,-8.72,;24.1,-9.21,;22.32,-7.22,;20.85,-6.73,;13.16,-6.73,;13.16,-5.19,;11.69,-4.72,;10.79,-5.97,;11.69,-7.2,;11.22,-3.25,;12.26,-2.12,;11.8,-.65,;10.29,-.32,;9.25,-1.47,;7.71,-1.46,;7.23,-2.93,;8.48,-3.83,;9.72,-2.93,)| | ||
| Structure | 
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