BDBM50354765 CHEMBL1834315

SMILES: Nc1c(F)c(NCCNc2ccccn2)cc2n(cc(C(O)=O)c(=O)c12)C1CC1

InChI Key: InChIKey=SHIPRRRHWXEJSD-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 = 50354765   

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))	BDBM50354765 (CHEMBL1834315) Show SMILES Nc1c(F)c(NCCNc2ccccn2)cc2n(cc(C(O)=O)c(=O)c12)C1CC1 Show InChI InChI=1S/C20H20FN5O3/c21-17-13(23-7-8-25-15-3-1-2-6-24-15)9-14-16(18(17)22)19(27)12(20(28)29)10-26(14)11-4-5-11/h1-3,6,9-11,23H,4-5,7-8,22H2,(H,24,25)(H,28,29)	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	13	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