Reaction Details | |||
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Target | Glycogen synthase kinase-3 beta | ||
Ligand | BDBM50158429 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1565886 (CHEMBL3789990) | ||
IC50 | >10000±n/a nM | ||
Citation | Fairhurst, RA; Marsilje, TH; Stutz, S; Boos, A; Niklaus, M; Chen, B; Jiang, S; Lu, W; Furet, P; McCarthy, C; Stauffer, F; Guagnano, V; Vaupel, A; Michellys, PY; Schnell, C; Jeay, S Optimisation of a 5-[3-phenyl-(2-cyclic-ether)-methyl-ether]-4-aminopyrrolopyrimidine series of IGF-1R inhibitors. Bioorg Med Chem Lett26:2057-64 (2016) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Glycogen synthase kinase-3 beta | |||
Name: | Glycogen synthase kinase-3 beta | ||
Synonyms: | GSK-3 beta | GSK-3, beta | GSK3B | GSK3B_HUMAN | Glycogen synthase kinase 3 beta (GSK3B) | Glycogen synthase kinase 3-beta (GSK3B) | Glycogen synthase kinase-3 beta (GSK-3B) | Glycogen synthase kinase-3 beta (GSK3 Beta) | Glycogen synthase kinase-3 beta (GSK3B) | Glycogen synthase kinase-3B (GSK-3B) | Glycogen synthase kinase-3beta (GSK3B) | Serine/threonine-protein kinase GSK3B | ||
Type: | Enzyme | ||
Mol. Mass.: | 46756.38 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P49841 | ||
Residue: | 420 | ||
Sequence: |
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BDBM50158429 | |||
n/a | |||
Name | BDBM50158429 | ||
Synonyms: | CHEMBL3785500 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H33N5O2 | ||
Mol. Mass. | 459.5832 | ||
SMILES | Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)| | ||
Structure |