Reaction Details | |||
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Target | Glycogen synthase kinase-3 beta | ||
Ligand | BDBM50610427 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2280818 | ||
IC50 | 0.370000±n/a nM | ||
Citation | Luo, G; Chen, L; Jacutin-Porte, S; Han, Y; Burton, CR; Xiao, H; Krause, CM; Cao, Y; Liu, N; Kish, K; Lewis, HA; Macor, JE; Dubowchik, GM Structure-activity relationship (SAR) studies on substituted N-(pyridin-3-yl)-2-amino-isonicotinamides as highly potent and selective glycogen synthase kinase-3 (GSK-3) inhibitors. Bioorg Med Chem Lett81:0 (2023) [PubMed] | ||
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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BDBM50610427 | |||
n/a | |||
Name | BDBM50610427 | ||
Synonyms: | CHEMBL5291181 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H22ClF2N5O2 | ||
Mol. Mass. | 449.881 | ||
SMILES | FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(NC(=O)[C@H]2C[C@H](Cl)C2)c1 |r,wU:25.26,wD:27.29,(2.56,-2.55,;3.33,-1.21,;4.1,-2.55,;2,-.44,;2,1.1,;3.33,1.87,;4.67,1.1,;4.67,-.44,;3.33,3.41,;4.66,4.18,;4.66,5.72,;3.33,6.49,;2,5.72,;2,4.18,;.66,3.41,;-.67,4.18,;-.67,5.72,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-3.33,1.1,;-3.33,-.44,;-2,-1.21,;-.66,-.44,;-2,-2.75,;-.89,-3.86,;-1.98,-4.95,;-1.98,-6.49,;-3.09,-3.84,;-2.01,1.87,)| | ||
Structure |