BDBM50362880 CHEMBL1940906

SMILES: Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CC3)n3cc(C(O)=O)c(=O)c1c23

InChI Key: InChIKey=NSKUJDMSYBLFMJ-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 = 50362880   

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))	BDBM50362880 (CHEMBL1940906) Show SMILES Nc1c(F)c(NCCNc2ccccn2)c2OCCC3(CC3)n3cc(C(O)=O)c(=O)c1c23 Show InChI InChI=1S/C22H22FN5O4/c23-15-16(24)14-18-20(17(15)27-9-8-26-13-3-1-2-7-25-13)32-10-6-22(4-5-22)28(18)11-12(19(14)29)21(30)31/h1-3,7,11,27H,4-6,8-10,24H2,(H,25,26)(H,30,31)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Kyorin Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta after 1 hr by KinaseGlo luciferase assay				Bioorg Med Chem 20: 1188-200 (2012) Article DOI: 10.1016/j.bmc.2011.12.046 BindingDB Entry DOI: 10.7270/Q29W0FXV
					More data for this Ligand-Target Pair