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SMILES: COC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1

InChI Key: InChIKey=FTQIAAZOFQGUCE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50377233   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50377233 (CHEMBL404242) Show SMILES COC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H16N6O3/c1-27-17(26)12-28-15-9-7-13(8-10-15)21-19-20-11-16-18(22-19)25(24-23-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	477	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50377233 (CHEMBL404242) Show SMILES COC(=O)COc1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 Show InChI InChI=1S/C19H16N6O3/c1-27-17(26)12-28-15-9-7-13(8-10-15)21-19-20-11-16-18(22-19)25(24-23-16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Kemia, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Bioorg Med Chem Lett 18: 3578-81 (2008) Article DOI: 10.1016/j.bmcl.2008.05.001 BindingDB Entry DOI: 10.7270/Q2571CXM
					More data for this Ligand-Target Pair