Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50343073'   

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))	BDBM50343073 ((S)-2-(3,4-dihydroxybenzylidene)-N-(4-(4-methoxyph...) Show SMILES CCCCC(=Cc1ccc(O)c(O)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccc(OC)cc1 |r,w:5.5| Show InChI InChI=1S/C32H36N2O6/c1-3-4-10-25(19-24-13-16-28(35)29(36)21-24)31(38)34-27(20-23-8-6-5-7-9-23)30(37)32(39)33-18-17-22-11-14-26(40-2)15-12-22/h5-9,11-16,19,21,27,35-36H,3-4,10,17-18,20H2,1-2H3,(H,33,39)(H,34,38)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes mu-calpain using Suc-Leu-Tyr-AMC fluorogenic substrate after 30 mins by spectrofluorimetery				Bioorg Med Chem Lett 21: 2850-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.077 BindingDB Entry DOI: 10.7270/Q27P8ZQQ
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