Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-2 catalytic subunit' and Ligand = 'BDBM50503849'   

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)	BDBM50503849 (CHEMBL4590466) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C=O |r| Show InChI InChI=1S/C29H39N3O5/c1-20(2)15-24(18-33)30-27(34)25(16-21(3)4)31-28(35)26(17-22-11-7-5-8-12-22)32-29(36)37-19-23-13-9-6-10-14-23/h5-14,18,20-21,24-26H,15-17,19H2,1-4H3,(H,30,34)(H,31,35)(H,32,36)/t24-,25-,26-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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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