Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50312998'   

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))	BDBM50312998 ((R,S)-3-(3-(2,3-dihydroxypropyl)phenyl)-4-(5-fluor...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cccc(CC(O)CO)c2)c2cc(F)ccc12 |t:4| Show InChI InChI=1S/C22H19FN2O4/c1-25-10-17(16-9-14(23)5-6-18(16)25)20-19(21(28)24-22(20)29)13-4-2-3-12(7-13)8-15(27)11-26/h2-7,9-10,15,26-27H,8,11H2,1H3,(H,24,28,29)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti...				Bioorg Med Chem Lett 20: 1693-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.038 BindingDB Entry DOI: 10.7270/Q2ZK5HNS
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