Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50362878'   

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))	BDBM50362878 (CHEMBL1940904) Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C24H26FN5O4/c25-17-18(26)16-20-22(19(17)29-11-10-28-15-5-1-4-9-27-15)34-12-8-24(6-2-3-7-24)30(20)13-14(21(16)31)23(32)33/h1,4-5,9,13,29H,2-3,6-8,10-12,26H2,(H,27,28)(H,32,33)	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50362878 (CHEMBL1940904) Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CCCC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C24H26FN5O4/c25-17-18(26)16-20-22(19(17)29-11-10-28-15-5-1-4-9-27-15)34-12-8-24(6-2-3-7-24)30(20)13-14(21(16)31)23(32)33/h1,4-5,9,13,29H,2-3,6-8,10-12,26H2,(H,27,28)(H,32,33)	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	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GSK3-beta in human HepG2 cells assessed as incorporation of [3H]glucose into glycogen after 3 hrs by liquid scintillation counting				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair