BDBM50026844 CHEMBL1957101

SMILES: COc1cnc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1

InChI Key: InChIKey=HVBDEXVIGNSGMV-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 = 50026844   

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))	BDBM50026844 (CHEMBL1957101) Show SMILES COc1cnc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C16H13ClN4O3/c1-23-13-8-19-12(6-11(13)17)15-14(21-9-24-15)16(22)20-7-10-2-4-18-5-3-10/h2-6,8-9H,7H2,1H3,(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	<1.58E+4	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))	BDBM50026844 (CHEMBL1957101) Show SMILES COc1cnc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C16H13ClN4O3/c1-23-13-8-19-12(6-11(13)17)15-14(21-9-24-15)16(22)20-7-10-2-4-18-5-3-10/h2-6,8-9H,7H2,1H3,(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+4	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))	BDBM50026844 (CHEMBL1957101) Show SMILES COc1cnc(cc1Cl)-c1ocnc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C16H13ClN4O3/c1-23-13-8-19-12(6-11(13)17)15-14(21-9-24-15)16(22)20-7-10-2-4-18-5-3-10/h2-6,8-9H,7H2,1H3,(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	1.00E+4	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