Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50377250'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50377250 (CHEMBL404174) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)[N+]([O-])=O |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,23:20:17:24.14.15,23:14:17:22.19.20,21:20:17:24.14.15,TEB:19:18:15:22.20.23,(12.04,-16.8,;12.03,-15.26,;13.37,-14.48,;13.36,-12.94,;12.03,-12.18,;10.7,-12.95,;10.7,-14.49,;12.03,-10.64,;10.7,-9.87,;10.69,-8.32,;9.35,-7.56,;8.02,-8.33,;8.02,-9.87,;6.69,-10.64,;6.68,-12.18,;5.33,-12.66,;5.34,-14.14,;4.14,-15.42,;5.64,-15,;7.05,-15.56,;8.06,-14.29,;9.6,-14.22,;6.67,-14.63,;8.08,-12.76,;5.64,-13.41,;9.35,-10.64,;6.68,-7.56,;6.68,-6.02,;5.35,-8.33,)| Show InChI InChI=1S/C20H29N5O4/c26-15-3-1-14(2-4-15)22-18-21-10-16(25(28)29)17(23-18)24-19-6-12-5-13(7-19)9-20(27,8-12)11-19/h10,12-15,26-27H,1-9,11H2,(H2,21,22,23,24)/t12?,13?,14-,15-,19?,20?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair