Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM459187'   

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))	BDBM459187 (US10759799, Compound 8) Show SMILES C1NCc2cncc(c2)-c2ccc3[nH]nc(-c4nc5c(cncc5[nH]4)-c4cccc1c4)c3c2 Show InChI InChI=1S/C26H19N7/c1-2-15-6-18(3-1)21-13-29-14-23-24(21)31-26(30-23)25-20-8-17(4-5-22(20)32-33-25)19-7-16(10-27-9-15)11-28-12-19/h1-8,11-14,27H,9-10H2,(H,30,31)(H,32,33)	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	1	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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