Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50343076'   

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))	BDBM50343076 ((S)-2-(3,4-dimethoxybenzylidene)-N-(4-(4-methoxyph...) Show SMILES CCCCC(=Cc1ccc(OC)c(OC)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccc(OC)cc1 |r,w:5.5| Show InChI InChI=1S/C34H40N2O6/c1-5-6-12-27(21-26-15-18-30(41-3)31(23-26)42-4)33(38)36-29(22-25-10-8-7-9-11-25)32(37)34(39)35-20-19-24-13-16-28(40-2)17-14-24/h7-11,13-18,21,23,29H,5-6,12,19-20,22H2,1-4H3,(H,35,39)(H,36,38)/t29-/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	1.38E+3	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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