BDBM50386933 CHEMBL2048678

SMILES: CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccc(F)cc1

InChI Key: InChIKey=KONUVNNRPCDKBD-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50386933   

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))	BDBM50386933 (CHEMBL2048678) Show SMILES CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccc(F)cc1 Show InChI InChI=1S/C20H16FN5O2/c1-2-28-16-8-9-22-11-15(16)24-20(27)14-7-10-23-19-17(14)25-18(26-19)12-3-5-13(21)6-4-12/h3-11H,2H2,1H3,(H,24,27)(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
CrystalGenomics, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3B in human Rd cells				Bioorg Med Chem Lett 22: 4221-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.060 BindingDB Entry DOI: 10.7270/Q2SQ91FN
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50386933 (CHEMBL2048678) Show SMILES CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccc(F)cc1 Show InChI InChI=1S/C20H16FN5O2/c1-2-28-16-8-9-22-11-15(16)24-20(27)14-7-10-23-19-17(14)25-18(26-19)12-3-5-13(21)6-4-12/h3-11H,2H2,1H3,(H,24,27)(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CrystalGenomics, Inc. Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method				Bioorg Med Chem Lett 22: 4221-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.060 BindingDB Entry DOI: 10.7270/Q2SQ91FN
					More data for this Ligand-Target Pair