Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50227397'   

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))	BDBM50227397 ((S)-N-(4-(isopropylamino)-3,4-dioxo-1-phenylbutan-...) Show SMILES CC(C)NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1nc2ccccc2c(O)c1C Show InChI InChI=1S/C24H25N3O4/c1-14(2)25-24(31)22(29)19(13-16-9-5-4-6-10-16)27-23(30)20-15(3)21(28)17-11-7-8-12-18(17)26-20/h4-12,14,19H,13H2,1-3H3,(H,25,31)(H,26,28)(H,27,30)/t19-/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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of human mu-calpain				Bioorg Med Chem Lett 18: 205-9 (2008) Article DOI: 10.1016/j.bmcl.2007.10.097 BindingDB Entry DOI: 10.7270/Q2CV4HH3
					More data for this Ligand-Target Pair