Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50219735'   

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))	BDBM50219735 (12,13-dehydro-8-O-acetylmanzamine A | CHEMBL252520) Show SMILES CC(=O)Oc1cccc2c3ccnc(C4=C\C5=C\C\C=C/CCCCN6CCC4[C@]4(C[C@@H]7\C=C/CCCCN7[C@@H]54)C6)c3[nH]c12 |w:28.27,c:19,33,t:14,16| Show InChI InChI=1S/C38H44N4O2/c1-26(43)44-33-16-12-15-29-30-17-19-39-35(36(30)40-34(29)33)31-23-27-13-8-4-2-3-6-10-20-41-22-18-32(31)38(25-41)24-28-14-9-5-7-11-21-42(28)37(27)38/h2,4,9,12-17,19,23,28,32,37,40H,3,5-8,10-11,18,20-22,24-25H2,1H3/b4-2-,14-9-,27-13-/t28-,32?,37-,38-/m0/s1	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of human recombinant GSKbeta				J Nat Prod 70: 1397-405 (2007) Article DOI: 10.1021/np060092r BindingDB Entry DOI: 10.7270/Q2R78G2K
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