BDBM50364364 CHEMBL1950279

SMILES: CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(C)=O

InChI Key: InChIKey=RABLAKCMIABOIY-AFYXXPPBSA-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 = 50364364   

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
Legumain (Mus musculus)	BDBM50364364 (CHEMBL1950279) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)c(c1)[N+]([O-])=O)NC(C)=O |r| Show InChI InChI=1S/C24H30N6O10/c1-3-40-22(35)9-8-21(34)29(13-20(25)33)27-23(36)17-5-4-10-28(17)24(37)16(26-14(2)31)11-15-6-7-19(32)18(12-15)30(38)39/h6-9,12,16-17,32H,3-5,10-11,13H2,1-2H3,(H2,25,33)(H,26,31)(H,27,36)/b9-8+/t16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University School of Medicine Curated by ChEMBL					Assay Description Inhibition of mouse recombinant legumain using Cbz-Ala-Ala-Asn-AMC as substrate measured every 30 secs for 2.5 hrs by fluorimetry				Bioorg Med Chem Lett 22: 1340-3 (2012) Article DOI: 10.1016/j.bmcl.2011.12.079 BindingDB Entry DOI: 10.7270/Q2H132GV
					More data for this Ligand-Target Pair