Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-2 catalytic subunit' and Ligand = 'BDBM50503847'   

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 (Sus scrofa)	BDBM50503847 (CHEMBL4574306) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCC#C)cc1)C=O |r| Show InChI InChI=1S/C35H39N3O6/c1-4-19-43-30-17-15-27(16-18-30)21-29(23-39)36-33(40)31(20-25(2)3)37-34(41)32(22-26-11-7-5-8-12-26)38-35(42)44-24-28-13-9-6-10-14-28/h1,5-18,23,25,29,31-32H,19-22,24H2,2-3H3,(H,36,40)(H,37,41)(H,38,42)/t29-,31-,32-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
University of Adelaide Curated by ChEMBL					Assay Description Inhibition of recombinant porcine calpain 2 protease using BODIPY-FL casein as substrate measured at 30 secs time interval for 30 mins by fluorescenc...				Bioorg Med Chem 27: 436-441 (2019) Article DOI: 10.1016/j.bmc.2018.12.022 BindingDB Entry DOI: 10.7270/Q2NP27P1
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