Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Legumain' and Ligand = 'BDBM50378279'   

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 (Ixodes ricinus)	BDBM50378279 (CHEMBL582899) Show SMILES CC(C)[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCc2ccccc12 |r,w:30.30| Show InChI InChI=1S/C31H38N6O7/c1-20(2)28(34-29(41)21(3)33-31(43)44-19-22-10-5-4-6-11-22)30(42)35-37(18-25(32)38)27(40)16-15-26(39)36-17-9-13-23-12-7-8-14-24(23)36/h4-8,10-12,14-16,20-21,28H,9,13,17-19H2,1-3H3,(H2,32,38)(H,33,43)(H,34,41)(H,35,42)/t21-,28+/m1/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Ixodes ricinus asparaginyl endopeptidases				J Med Chem 52: 7192-210 (2009) Article DOI: 10.1021/jm900849h BindingDB Entry DOI: 10.7270/Q20C4WQ3
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