Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain small subunit 1/1 catalytic subunit' and Ligand = 'BDBM50042425'   

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 small subunit 1/1 catalytic subunit (Homo sapiens (Human))	BDBM50042425 (CHEMBL326290 | {1-[1-(2,2-Diphenyl-ethylaminooxaly...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C33H39N3O5/c1-4-28(35-31(38)29(20-23(2)3)36-33(40)41-22-24-14-8-5-9-15-24)30(37)32(39)34-21-27(25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23,27-29H,4,20-22H2,1-3H3,(H,34,39)(H,35,38)(H,36,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	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 Inhibitory activity of alpha-keto esters towards calpain 1 at pH 8.0.				J Med Chem 36: 3472-80 (1993) BindingDB Entry DOI: 10.7270/Q2F76BK3
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