BDBM50364359 CHEMBL1950274

SMILES: CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)=O

InChI Key: InChIKey=PTTXSDQOULKCCJ-DMGQIGSTSA-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 = 50364359   

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)	BDBM50364359 (CHEMBL1950274) Show SMILES CCOC(=O)\C=C\C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCCN1C(C)=O |r| Show InChI InChI=1S/C21H31N5O7/c1-3-33-19(30)10-9-18(29)26(13-17(22)28)23-20(31)15-8-6-12-25(15)21(32)16-7-4-5-11-24(16)14(2)27/h9-10,15-16H,3-8,11-13H2,1-2H3,(H2,22,28)(H,23,31)/b10-9+/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	638	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