BDBM50026857 CHEMBL1957096

SMILES: COc1ccc(cc1N1CCOCC1)-c1ocnc1C(=O)NCc1ccncc1

InChI Key: InChIKey=ODCZTIYVQFAGNO-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 = 50026857   

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))	BDBM50026857 (CHEMBL1957096) Show SMILES COc1ccc(cc1N1CCOCC1)-c1ocnc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C21H22N4O4/c1-27-18-3-2-16(12-17(18)25-8-10-28-11-9-25)20-19(24-14-29-20)21(26)23-13-15-4-6-22-7-5-15/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)	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	<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))	BDBM50026857 (CHEMBL1957096) Show SMILES COc1ccc(cc1N1CCOCC1)-c1ocnc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C21H22N4O4/c1-27-18-3-2-16(12-17(18)25-8-10-28-11-9-25)20-19(24-14-29-20)21(26)23-13-15-4-6-22-7-5-15/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)	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	3.16E+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))	BDBM50026857 (CHEMBL1957096) Show SMILES COc1ccc(cc1N1CCOCC1)-c1ocnc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C21H22N4O4/c1-27-18-3-2-16(12-17(18)25-8-10-28-11-9-25)20-19(24-14-29-20)21(26)23-13-15-4-6-22-7-5-15/h2-7,12,14H,8-11,13H2,1H3,(H,23,26)	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	2.00E+3	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