Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50190181'   

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))	BDBM50190181 (CHEMBL3827724) Show SMILES COc1ccc(cc1)C(=O)CCC(=O)NNC(=O)Cn1c(C)nc2ccccc12 Show InChI InChI=1S/C21H22N4O4/c1-14-22-17-5-3-4-6-18(17)25(14)13-21(28)24-23-20(27)12-11-19(26)15-7-9-16(29-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,23,27)(H,24,28)	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	561	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
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