Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM459189'   

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))	BDBM459189 (US10759799, Compound 15) Show SMILES Cn1ncc-2c1CNCc1cccc(c1)-c1cccc3[nH]c(nc13)-c1n[nH]c3ccc-2cc13 Show InChI InChI=1S/C26H21N7/c1-33-23-14-27-12-15-4-2-5-16(10-15)18-6-3-7-22-24(18)30-26(29-22)25-19-11-17(20(23)13-28-33)8-9-21(19)31-32-25/h2-11,13,27H,12,14H2,1H3,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Samumed, LLC US Patent					Assay Description The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...				US Patent US10759799 (2020) BindingDB Entry DOI: 10.7270/Q2B27ZB4
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