Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-2 catalytic subunit' and Ligand = 'BDBM50065399'   

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
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50065399 ((R)-N-((S)-1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-met...) Show SMILES CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C21H26N2O5S/c1-16(28-15-18-11-7-4-8-12-18)20(23-29(2,26)27)21(25)22-19(14-24)13-17-9-5-3-6-10-17/h3-12,14,16,19-20,23H,13,15H2,1-2H3,(H,22,25)/t16?,19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against Calpain-II receptor in porcine kidney				J Med Chem 41: 2663-6 (1998) Article DOI: 10.1021/jm980035y BindingDB Entry DOI: 10.7270/Q2S46SNF
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