Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-2 catalytic subunit' and Ligand = 'BDBM50053803'   

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))	BDBM50053803 (CHEMBL134121 | {1-[1-(2-Hydroxy-ethylaminooxalyl)-...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCO Show InChI InChI=1S/C21H31N3O6/c1-4-16(18(26)20(28)22-10-11-25)23-19(27)17(12-14(2)3)24-21(29)30-13-15-8-6-5-7-9-15/h5-9,14,16-17,25H,4,10-13H2,1-3H3,(H,22,28)(H,23,27)(H,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Cysteine protease Calpain 2				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
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