BDBM50362522 CHEMBL1940990

SMILES: C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O

InChI Key: InChIKey=ZGPDFKYQHBHSHB-LBPRGKRZSA-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 = 50362522   

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))	BDBM50362522 (CHEMBL1940990) Show SMILES C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c2n1cc(C#N)c3=O |r| Show InChI InChI=1S/C21H20FN5O2/c1-12-11-29-21-18(26-8-4-6-14-5-2-3-7-25-14)16(22)17(24)15-19(21)27(12)10-13(9-23)20(15)28/h2-3,5,7,10,12,26H,4,6,8,11,24H2,1H3/t12-/m0/s1	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
ActivX Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of GSK3-beta				Bioorg Med Chem Lett 22: 1005-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.006 BindingDB Entry DOI: 10.7270/Q2930TMF
					More data for this Ligand-Target Pair