Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM50469279'   

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))	BDBM50469279 (CHEMBL4283032) Show SMILES Cc1ccc(CNC(=O)c2ccc(cc2)C2CC(=O)N(Cc3ccccc3[N+]([O-])=O)c3ccccc3S2)cc1 Show InChI InChI=1S/C31H27N3O4S/c1-21-10-12-22(13-11-21)19-32-31(36)24-16-14-23(15-17-24)29-18-30(35)33(27-8-4-5-9-28(27)39-29)20-25-6-2-3-7-26(25)34(37)38/h2-17,29H,18-20H2,1H3,(H,32,36)	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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...				Bioorg Med Chem 26: 5479-5493 (2018) Article DOI: 10.1016/j.bmc.2018.09.027 BindingDB Entry DOI: 10.7270/Q2319ZMZ
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