BDBM50354777 CHEMBL1834328

SMILES: CC1(C)COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n(C1)cc(C(O)=O)c3=O

InChI Key: InChIKey=KCNIIWXXNVADKT-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 = 50354777   

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))	BDBM50354777 (CHEMBL1834328) Show SMILES CC1(C)COc2c(NCCNc3ccccn3)c(F)c(N)c3c2n(C1)cc(C(O)=O)c3=O Show InChI InChI=1S/C22H24FN5O4/c1-22(2)10-28-9-12(21(30)31)19(29)14-16(24)15(23)17(20(18(14)28)32-11-22)27-8-7-26-13-5-3-4-6-25-13/h3-6,9,27H,7-8,10-11,24H2,1-2H3,(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 Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
ActivX Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant full length GSK3beta after 1 hrs by luminescence assay				Bioorg Med Chem Lett 21: 5948-51 (2011) Article DOI: 10.1016/j.bmcl.2011.07.073 BindingDB Entry DOI: 10.7270/Q23T9HMH
					More data for this Ligand-Target Pair