Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50132317'   

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))	BDBM50132317 (17,23-dimethyl-20-oxa-4,14,17,23,26-pentaazahexacy...) Show SMILES CN1CCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14| Show InChI InChI=1S/C30H33N5O3/c1-32-11-13-34-19-23(21-7-3-5-9-25(21)34)27-28(30(37)31-29(27)36)24-20-35(26-10-6-4-8-22(24)26)14-12-33(2)16-18-38-17-15-32/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Road Curated by ChEMBL					Assay Description Inhibition of human GSK3beta				Eur J Med Chem 44: 2361-71 (2009) Article DOI: 10.1016/j.ejmech.2008.08.012 BindingDB Entry DOI: 10.7270/Q2057FZX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50132317 (17,23-dimethyl-20-oxa-4,14,17,23,26-pentaazahexacy...) Show SMILES CN1CCOCCN(C)CCn2cc(C3=C(C(=O)NC3=O)c3cn(CC1)c1ccccc31)c1ccccc21 |t:14| Show InChI InChI=1S/C30H33N5O3/c1-32-11-13-34-19-23(21-7-3-5-9-25(21)34)27-28(30(37)31-29(27)36)24-20-35(26-10-6-4-8-22(24)26)14-12-33(2)16-18-38-17-15-32/h3-10,19-20H,11-18H2,1-2H3,(H,31,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of Glycogen synthase kinase-3 beta				Bioorg Med Chem Lett 13: 3049-53 (2003) BindingDB Entry DOI: 10.7270/Q2DR2TVT
					More data for this Ligand-Target Pair