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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Glycogen synthase kinase-3 alpha | ||
| Ligand | BDBM50377245 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_479409 (CHEMBL928211) | ||
| IC50 | 1499±n/a nM | ||
| Citation |  Lum, C; Kahl, J; Kessler, L; Kucharski, J; Lundström, J; Miller, S; Nakanishi, H; Pei, Y; Pryor, K; Roberts, E; Sebo, L; Sullivan, R; Urban, J; Wang, Z 2,5-Diaminopyrimidines and 3,5-disubstituted azapurines as inhibitors of glycogen synthase kinase-3 (GSK-3). Bioorg Med Chem Lett18:3578-81 (2008) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Glycogen synthase kinase-3 alpha | |||
| Name: | Glycogen synthase kinase-3 alpha | ||
| Synonyms: | GSK-3 alpha | GSK3A | GSK3A_HUMAN | Glycogen synthase kinase 3 alpha (GSKalpha) | Glycogen synthase kinase-3 | Glycogen synthase kinase-3 alpha | Glycogen synthase kinase-3 alpha (GSK3 Alpha) | Glycogen synthase kinase-3 alpha (GSK3A) | Glycogen synthase kinase-3 alpha (GSK3alpha) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 50991.79 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P49840 | ||
| Residue: | 483 | ||
| Sequence: |
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| BDBM50377245 | |||
| n/a | |||
| Name | BDBM50377245 | ||
| Synonyms: | CHEMBL254587 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H29FN4O2 | ||
| Mol. Mass. | 376.4683 | ||
| SMILES | O[C@H]1CC[C@@H](CC1)Nc1ncc(F)c(NC23CC4CC(CC(O)(C4)C2)C3)n1 |w:17.24,19.20,wU:4.7,wD:1.0,TLB:14:15:18:23.20.21,22:21:18.19.25:16,THB:20:21:18.19.25:16,22:21:18:25.15.16,24:21:18:25.15.16,24:15:18:23.20.21,TEB:20:19:16:23.21.24,(32.75,-27.32,;32.74,-25.78,;34.08,-25,;34.07,-23.47,;32.74,-22.71,;31.41,-23.47,;31.41,-25.01,;32.74,-21.17,;31.41,-20.4,;31.4,-18.84,;30.06,-18.08,;28.73,-18.85,;27.4,-18.08,;28.73,-20.4,;27.4,-21.17,;27.39,-22.71,;26.04,-23.18,;26.05,-24.67,;24.85,-25.95,;26.35,-25.53,;27.76,-26.09,;28.77,-24.81,;30.31,-24.75,;27.37,-25.16,;28.79,-23.28,;26.35,-23.94,;30.06,-21.17,)| | ||
| Structure | 
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