Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-2 catalytic subunit' and Ligand = 'BDBM50503845'   

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)	BDBM50503845 (CHEMBL4531762) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C23H35N3O6/c1-15(2)10-18(12-27)24-22(30)20(13-28)25-21(29)19(11-16(3)4)26-23(31)32-14-17-8-6-5-7-9-17/h5-9,12,15-16,18-20,28H,10-11,13-14H2,1-4H3,(H,24,30)(H,25,29)(H,26,31)/t18-,19-,20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	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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