Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50189827'   

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))	BDBM50189827 ((2S)-2-((((4-methoxyphenyl)amino)thioxomethyl)amin...) Show SMILES COc1ccc(NC(=S)N[C@@H](CC(C)C)C(=O)N[C@H]2CCOC2O)cc1 Show InChI InChI=1S/C18H27N3O4S/c1-11(2)10-15(16(22)20-14-8-9-25-17(14)23)21-18(26)19-12-4-6-13(24-3)7-5-12/h4-7,11,14-15,17,23H,8-10H2,1-3H3,(H,20,22)(H2,19,21,26)/t14-,15-,17?/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	220	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of human erythrocyte mu calpain				J Med Chem 49: 3926-32 (2006) Article DOI: 10.1021/jm060157n BindingDB Entry DOI: 10.7270/Q21R6Q48
					More data for this Ligand-Target Pair