BDBM50026851 CHEMBL1957093

SMILES: COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1

InChI Key: InChIKey=GRTUMJJZJZNLTJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50026851   

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))	BDBM50026851 (CHEMBL1957093) Show SMILES COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1 Show InChI InChI=1S/C17H14FN3O3/c1-23-12-2-3-13(14(18)8-12)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)	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	398	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of catalytic activity of GSK3-beta by AlphaLISA assay				Bioorg Med Chem Lett 22: 1989-94 (2012) Article DOI: 10.1016/j.bmcl.2012.01.034 BindingDB Entry DOI: 10.7270/Q2ZP46KT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50026851 (CHEMBL1957093) Show SMILES COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1 Show InChI InChI=1S/C17H14FN3O3/c1-23-12-2-3-13(14(18)8-12)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)	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	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GSK3beta-mediated CRMP-2 phosphorylation by cell based assay				Bioorg Med Chem Lett 22: 1989-94 (2012) Article DOI: 10.1016/j.bmcl.2012.01.034 BindingDB Entry DOI: 10.7270/Q2ZP46KT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50026851 (CHEMBL1957093) Show SMILES COc1ccc(-c2ocnc2C(=O)NCc2ccncc2)c(F)c1 Show InChI InChI=1S/C17H14FN3O3/c1-23-12-2-3-13(14(18)8-12)16-15(21-10-24-16)17(22)20-9-11-4-6-19-7-5-11/h2-8,10H,9H2,1H3,(H,20,22)	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	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CDK2 by AlphaLISA assay				Bioorg Med Chem Lett 22: 1989-94 (2012) Article DOI: 10.1016/j.bmcl.2012.01.034 BindingDB Entry DOI: 10.7270/Q2ZP46KT
					More data for this Ligand-Target Pair