Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain small subunit 1' and Ligand = 'BDBM50124028'   

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 (Sus scrofa)	BDBM50124028 ((S)-4-Methyl-2-(toluene-4-sulfonylamino)-pentanoic...) Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(Cc1ccccc1)C=O Show InChI InChI=1S/C22H28N2O4S/c1-16(2)13-21(24-29(27,28)20-11-9-17(3)10-12-20)22(26)23-19(15-25)14-18-7-5-4-6-8-18/h4-12,15-16,19,21,24H,13-14H2,1-3H3,(H,23,26)/t19?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Compound tested for inhibition of porcine calpain I				Bioorg Med Chem Lett 13: 783-4 (2003) BindingDB Entry DOI: 10.7270/Q2PN950V
					More data for this Ligand-Target Pair