BDBM50074593 CHEMBL3410097

SMILES: O=C(Nc1cc(ccn1)-c1ccc2c(OCCNC2=O)c1)C1CC1

InChI Key: InChIKey=PTVIMXFZYLNRFY-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 = 50074593   

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))	BDBM50074593 (CHEMBL3410097) Show SMILES O=C(Nc1cc(ccn1)-c1ccc2c(OCCNC2=O)c1)C1CC1 Show InChI InChI=1S/C18H17N3O3/c22-17(11-1-2-11)21-16-10-13(5-6-19-16)12-3-4-14-15(9-12)24-8-7-20-18(14)23/h3-6,9-11H,1-2,7-8H2,(H,20,23)(H,19,21,22)	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	4.70	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