Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Legumain' and Ligand = 'BDBM50499749'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Legumain (Homo sapiens (Human))	BDBM50499749 (CHEMBL3741126) Show SMILES NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1)C#N |r| Show InChI InChI=1S/C15H17BrN4O4S/c16-10-3-5-12(6-4-10)25(23,24)20-7-1-2-13(20)15(22)19-11(9-17)8-14(18)21/h3-6,11,13H,1-2,7-8H2,(H2,18,21)(H,19,22)/t11-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	282	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-MCA substrate measured every 2 mins for 60 mins by microplate reader analysis				Bioorg Med Chem Lett 25: 5642-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.001 BindingDB Entry DOI: 10.7270/Q2280BM6
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