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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 | BDBM50438317 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_973540 (CHEMBL2410824) | ||
| IC50 | 28±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: |
| ||
| BDBM50438317 | |||
| n/a | |||
| Name | BDBM50438317 | ||
| Synonyms: | CHEMBL2408611 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H19ClN6O2S | ||
| Mol. Mass. | 466.943 | ||
| SMILES | Nc1ncc(-c2cnn(c2)[C@H]2CC[C@H](O)CC2)c2c(Cl)c(oc12)-c1cccc2nnsc12 |r,wU:13.14,wD:10.10,(28,-9.67,;29.47,-9.2,;30.61,-10.23,;32.07,-9.75,;32.39,-8.26,;33.86,-7.78,;34.33,-6.31,;35.87,-6.31,;36.35,-7.78,;35.1,-8.68,;37.81,-8.25,;38.13,-9.77,;39.58,-10.25,;40.73,-9.22,;42.2,-9.7,;40.42,-7.71,;38.95,-7.23,;31.26,-7.23,;31.25,-5.69,;32.5,-4.79,;29.79,-5.22,;28.89,-6.46,;29.79,-7.7,;29.32,-3.75,;30.36,-2.61,;29.89,-1.15,;28.39,-.82,;27.35,-1.96,;25.81,-1.96,;25.33,-3.42,;26.58,-4.33,;27.82,-3.43,)| | ||
| Structure | 
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