BDBM50523806 CHEMBL4101711

SMILES: CCC(=O)Nc1cc2c(NC(=O)C2(CC#N)OC(=O)CC)c(NC(=O)CC)c1

InChI Key: InChIKey=BERGREMVRYUFJV-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 = 50523806   

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))	BDBM50523806 (CHEMBL4101711) Show SMILES CCC(=O)Nc1cc2c(NC(=O)C2(CC#N)OC(=O)CC)c(NC(=O)CC)c1 Show InChI InChI=1S/C19H22N4O5/c1-4-14(24)21-11-9-12-17(13(10-11)22-15(25)5-2)23-18(27)19(12,7-8-20)28-16(26)6-3/h9-10H,4-7H2,1-3H3,(H,21,24)(H,22,25)(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate measured after 60 mins by ADP-Glo luminescence assay				Bioorg Med Chem 27: 1804-1817 (2019) Article DOI: 10.1016/j.bmc.2019.03.028
					More data for this Ligand-Target Pair