Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50227399'   

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))	BDBM50227399 ((S)-N-(4-(4-methoxyphenethylamino)-3,4-dioxo-1-phe...) Show SMILES COc1ccc(CCNC(=O)C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc3ccccc3c(O)c2C)cc1 Show InChI InChI=1S/C30H29N3O5/c1-19-26(32-24-11-7-6-10-23(24)27(19)34)29(36)33-25(18-21-8-4-3-5-9-21)28(35)30(37)31-17-16-20-12-14-22(38-2)15-13-20/h3-15,25H,16-18H2,1-2H3,(H,31,37)(H,32,34)(H,33,36)/t25-/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	730	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