Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50377249'   

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))	BDBM50377249 (CHEMBL254155) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nnn(c2n1)C12CC3CC(CC(O)(C3)C1)C2 |w:19.28,21.24,wU:4.7,wD:1.0,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26,(27.96,-16.98,;27.96,-15.44,;29.3,-14.66,;29.3,-13.13,;27.97,-12.36,;26.63,-13.13,;26.63,-14.67,;27.97,-10.82,;26.64,-10.05,;26.64,-8.5,;25.3,-7.73,;23.96,-8.5,;22.5,-8.03,;21.59,-9.28,;22.5,-10.52,;23.97,-10.04,;25.29,-10.82,;22.03,-11.99,;20.68,-12.46,;20.69,-13.95,;19.49,-15.23,;20.99,-14.81,;22.4,-15.37,;23.41,-14.09,;24.95,-14.03,;22.02,-14.44,;23.43,-12.56,;20.99,-13.22,)| Show InChI InChI=1S/C20H28N6O2/c27-15-3-1-14(2-4-15)22-18-21-10-16-17(23-18)26(25-24-16)19-6-12-5-13(7-19)9-20(28,8-12)11-19/h10,12-15,27-28H,1-9,11H2,(H,21,22,23)/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	Article PubMed	n/a	n/a	744	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
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