Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50523807'   

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))	BDBM50523807 (CHEMBL4514599) Show SMILES COC(=O)Nc1ccc2NC(=O)C(=Cc3ccc(cc3)[N+]([O-])=O)c2c1 Show InChI InChI=1S/C17H13N3O5/c1-25-17(22)18-11-4-7-15-13(9-11)14(16(21)19-15)8-10-2-5-12(6-3-10)20(23)24/h2-9H,1H3,(H,18,22)(H,19,21)/b14-8-	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	348	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2021.128449 BindingDB Entry DOI: 10.7270/Q2862MH3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50523807 (CHEMBL4514599) Show SMILES COC(=O)Nc1ccc2NC(=O)C(=Cc3ccc(cc3)[N+]([O-])=O)c2c1 Show InChI InChI=1S/C17H13N3O5/c1-25-17(22)18-11-4-7-15-13(9-11)14(16(21)19-15)8-10-2-5-12(6-3-10)20(23)24/h2-9H,1H3,(H,18,22)(H,19,21)/b14-8-	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	348	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate measured after 60 mins by ADP-Glo luminescence assay				Bioorg Med Chem 27: 1804-1817 (2019) Article DOI: 10.1016/j.bmc.2019.03.028 BindingDB Entry DOI: 10.7270/Q24X5C7R
					More data for this Ligand-Target Pair