Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50503006'   

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))	BDBM50503006 (CHEMBL4575716) Show SMILES Cc1nc(c([nH]1)-c1ccnc(NC(=O)CCn2cncn2)c1)-c1ccccc1 Show InChI InChI=1S/C20H19N7O/c1-14-24-19(15-5-3-2-4-6-15)20(25-14)16-7-9-22-17(11-16)26-18(28)8-10-27-13-21-12-23-27/h2-7,9,11-13H,8,10H2,1H3,(H,24,25)(H,22,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
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