Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50080207'   

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-1 catalytic subunit (Homo sapiens (Human))	BDBM50080207 (CHEMBL80142 | {1-[((S)-1-Formyl-2-phenyl-ethyl)-hy...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CO)[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C23H28N2O5/c1-17(2)21(24-23(29)30-15-19-11-7-4-8-12-19)22(28)25(16-27)20(14-26)13-18-9-5-3-6-10-18/h3-12,14,17,20-21,27H,13,15-16H2,1-2H3,(H,24,29)/t20-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
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