Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glycogen synthase kinase-3 beta' and Ligand = 'BDBM122535'   

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))	BDBM122535 (US8735593, I-3) Show SMILES Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(c1)-c1ccccc1Cl Show InChI InChI=1S/C18H13ClFN5/c1-10-6-15(12-4-2-3-5-14(12)19)22-16(7-10)23-18-13-8-11(20)9-21-17(13)24-25-18/h2-9H,1H3,(H2,21,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	30
Vertex Pharmaceuticals Incorporated US Patent					Assay Description Compounds of the present invention were screened for their ability to inhibit GSK-3β (AA 1-420) activity using a standard coupled enzyme system ...				US Patent US8735593 (2014) BindingDB Entry DOI: 10.7270/Q2H130PQ
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