BDBM50074675 CHEMBL3410092

SMILES: NC(=O)c1sc(nc1OC1CCC1)-c1ccnc(NC(=O)C2CC2)c1

InChI Key: InChIKey=IICBALNTECZZCG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50074675   

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))	BDBM50074675 (CHEMBL3410092) Show SMILES NC(=O)c1sc(nc1OC1CCC1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C17H18N4O3S/c18-14(22)13-16(24-11-2-1-3-11)21-17(25-13)10-6-7-19-12(8-10)20-15(23)9-4-5-9/h6-9,11H,1-5H2,(H2,18,22)(H,19,20,23)	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	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) activity by competitive binding assay				Bioorg Med Chem Lett 25: 1856-63 (2015) Article DOI: 10.1016/j.bmcl.2015.03.046 BindingDB Entry DOI: 10.7270/Q2222WH5
					More data for this Ligand-Target Pair