BDBM50015361 CHEMBL3264589

SMILES: COc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1

InChI Key: InChIKey=JTNSFRGUVKDSGF-FPOVZHCZSA-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 = 50015361   

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 (Homo sapiens (Human))	BDBM50015361 (CHEMBL3264589) Show SMILES COc1cccc(c1)-c1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C#N)cc1 |r| Show InChI InChI=1S/C24H26N4O5/c1-32-20-5-2-4-18(12-20)17-9-7-16(8-10-17)15-33-24(31)28-11-3-6-21(28)23(30)27-19(14-25)13-22(26)29/h2,4-5,7-10,12,19,21H,3,6,11,13,15H2,1H3,(H2,26,29)(H,27,30)/t19-,21-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Belfast Curated by ChEMBL					Assay Description Inhibition of recombinant human legumain using Z-Ala-Ala-Asn-AMC fluorogenic substrate				Bioorg Med Chem Lett 24: 2521-4 (2014) Article DOI: 10.1016/j.bmcl.2014.04.002 BindingDB Entry DOI: 10.7270/Q2QC052W
					More data for this Ligand-Target Pair