BDBM50026843 CHEMBL1957078

SMILES: CNC(=O)C1CCC(CNC(=O)c2ncoc2-c2ccc(OC)cc2)CC1

InChI Key: InChIKey=RDDNWFZAOGLFIU-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50026843   

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))	BDBM50026843 (CHEMBL1957078) Show SMILES CNC(=O)C1CCC(CNC(=O)c2ncoc2-c2ccc(OC)cc2)CC1 |(-8.29,3.86,;-6.97,3.07,;-5.63,3.82,;-5.6,5.36,;-4.3,3.03,;-2.96,3.78,;-1.64,3,;-1.66,1.45,;-.33,.66,;1.01,1.42,;2.33,.63,;2.32,-.91,;3.68,1.38,;4.15,2.85,;5.69,2.85,;6.17,1.39,;4.92,.48,;4.93,-1.06,;3.6,-1.83,;3.6,-3.37,;4.93,-4.14,;4.93,-5.68,;3.6,-6.45,;6.27,-3.37,;6.26,-1.82,;-3,.7,;-4.33,1.49,)| Show InChI InChI=1S/C20H25N3O4/c1-21-19(24)15-5-3-13(4-6-15)11-22-20(25)17-18(27-12-23-17)14-7-9-16(26-2)10-8-14/h7-10,12-13,15H,3-6,11H2,1-2H3,(H,21,24)(H,22,25)	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	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GSK3-beta by fluorescence polarization assay				Bioorg Med Chem Lett 22: 1989-94 (2012) Article DOI: 10.1016/j.bmcl.2012.01.034 BindingDB Entry DOI: 10.7270/Q2ZP46KT
					More data for this Ligand-Target Pair