Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain small subunit 1/1 catalytic subunit' and Ligand = 'BDBM50179742'   

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 small subunit 1/1 catalytic subunit (Homo sapiens (Human))	BDBM50179742 ((3S)-3-((S)-4-methyl-2-((S)-4-methyl-2-(10H-phenot...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1OC(C)=O Show InChI InChI=1S/C31H40N4O6S/c1-17(2)14-24(34-28(37)20-10-11-27-23(16-20)32-21-8-6-7-9-26(21)42-27)30(39)35-25(15-18(3)4)29(38)33-22-12-13-40-31(22)41-19(5)36/h6-11,16-18,22,24-25,31-32H,12-15H2,1-5H3,(H,33,38)(H,34,37)(H,35,39)/t22-,24-,25-,31?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	905	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibition of isolated human calpain1				Bioorg Med Chem Lett 16: 1586-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.036 BindingDB Entry DOI: 10.7270/Q2T15367
					More data for this Ligand-Target Pair