BDBM50026834 CHEMBL1957226

SMILES: COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1

InChI Key: InChIKey=CMKYBUFVJSEEFL-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 = 50026834   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50026834 (CHEMBL1957226) Show SMILES COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1 Show InChI InChI=1S/C18H16ClN3O4/c1-24-14-4-3-12(8-13(14)19)17-16(22-10-26-17)18(23)21-9-11-5-6-20-15(7-11)25-2/h3-8,10H,9H2,1-2H3,(H,21,23)	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	631	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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50026834 (CHEMBL1957226) Show SMILES COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1 Show InChI InChI=1S/C18H16ClN3O4/c1-24-14-4-3-12(8-13(14)19)17-16(22-10-26-17)18(23)21-9-11-5-6-20-15(7-11)25-2/h3-8,10H,9H2,1-2H3,(H,21,23)	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	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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50026834 (CHEMBL1957226) Show SMILES COc1cc(CNC(=O)c2ncoc2-c2ccc(OC)c(Cl)c2)ccn1 Show InChI InChI=1S/C18H16ClN3O4/c1-24-14-4-3-12(8-13(14)19)17-16(22-10-26-17)18(23)21-9-11-5-6-20-15(7-11)25-2/h3-8,10H,9H2,1-2H3,(H,21,23)	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	32	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