Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Legumain' and Ligand = 'BDBM50134290'   

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))	BDBM50134290 (CHEMBL3746197) Show SMILES CC(C)Oc1cccc(c1)-c1ccc(CN([C@H](C)C(=O)N[C@@H](CC(N)=O)C#N)S(C)(=O)=O)cc1 |r| Show InChI InChI=1S/C24H30N4O5S/c1-16(2)33-22-7-5-6-20(12-22)19-10-8-18(9-11-19)15-28(34(4,31)32)17(3)24(30)27-21(14-25)13-23(26)29/h5-12,16-17,21H,13,15H2,1-4H3,(H2,26,29)(H,27,30)/t17-,21+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.05E+3	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 as substrate preincubated with protein followed by substrate addition measured every...				Bioorg Med Chem Lett 26: 413-6 (2016) Article DOI: 10.1016/j.bmcl.2015.11.101 BindingDB Entry DOI: 10.7270/Q2FB54TD
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