BDBM50026830 CHEMBL1957102

SMILES: COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(Cl)c1

InChI Key: InChIKey=NUTHTHBJRHLFCA-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 = 50026830   

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))	BDBM50026830 (CHEMBL1957102) Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(Cl)c1 Show InChI InChI=1S/C17H13Cl2N3O3/c1-24-13-3-2-11(7-12(13)18)16-15(22-9-25-16)17(23)21-8-10-4-5-20-14(19)6-10/h2-7,9H,8H2,1H3,(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	20	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))	BDBM50026830 (CHEMBL1957102) Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(Cl)c1 Show InChI InChI=1S/C17H13Cl2N3O3/c1-24-13-3-2-11(7-12(13)18)16-15(22-9-25-16)17(23)21-8-10-4-5-20-14(19)6-10/h2-7,9H,8H2,1H3,(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	5.01E+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))	BDBM50026830 (CHEMBL1957102) Show SMILES COc1ccc(cc1Cl)-c1ocnc1C(=O)NCc1ccnc(Cl)c1 Show InChI InChI=1S/C17H13Cl2N3O3/c1-24-13-3-2-11(7-12(13)18)16-15(22-9-25-16)17(23)21-8-10-4-5-20-14(19)6-10/h2-7,9H,8H2,1H3,(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