Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-2 catalytic subunit' and Ligand = 'BDBM50053846'   

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))	BDBM50053846 (2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...) Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C37H46N4O5/c1-27(2)25-32(40-36(44)33(29-15-8-4-9-16-29)30-17-10-5-11-18-30)35(43)39-31(26-28-13-6-3-7-14-28)34(42)37(45)38-19-12-20-41-21-23-46-24-22-41/h3-11,13-18,27,31-33H,12,19-26H2,1-2H3,(H,38,45)(H,39,43)(H,40,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	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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