Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50321062'   

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))	BDBM50321062 (5-{N-[4-(4-Methylpiperazino)-phenyl]-aminocarbonyl...) Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc3NC(=O)C(=C4Nc5ccccc5C4=O)c3c2)cc1 |w:22.23| Show InChI InChI=1S/C28H25N5O3/c1-32-12-14-33(15-13-32)19-9-7-18(8-10-19)29-27(35)17-6-11-23-21(16-17)24(28(36)31-23)25-26(34)20-4-2-3-5-22(20)30-25/h2-11,16,30H,12-15H2,1H3,(H,29,35)(H,31,36)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Kaiserslautern Curated by ChEMBL					Assay Description Inhibition of GSK3beta assessed as inhibition of [33Pi] incorporation after 80 mins by microplate scintillation counting				Bioorg Med Chem 18: 4509-15 (2010) Article DOI: 10.1016/j.bmc.2010.04.066 BindingDB Entry DOI: 10.7270/Q2445MN3
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