BDBM50354770 CHEMBL1834321

SMILES: COc1c(NCCNc2ccccn2)c(F)c(N)c2c1n(CCC(C)C)cc(C(O)=O)c2=O

InChI Key: InChIKey=GDZNMULGKOYBBZ-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 = 50354770   

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))	BDBM50354770 (CHEMBL1834321) Show SMILES COc1c(NCCNc2ccccn2)c(F)c(N)c2c1n(CCC(C)C)cc(C(O)=O)c2=O Show InChI InChI=1S/C23H28FN5O4/c1-13(2)7-11-29-12-14(23(31)32)21(30)16-18(25)17(24)19(22(33-3)20(16)29)28-10-9-27-15-6-4-5-8-26-15/h4-6,8,12-13,28H,7,9-11,25H2,1-3H3,(H,26,27)(H,31,32)	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	1.60E+4	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
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