Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain small subunit 1' and Ligand = 'BDBM50137937'   

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)	BDBM50137937 (2-[(S)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pe...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C33H37N3O7/c1-22(2)18-27(36-33(42)43-21-25-16-10-5-11-17-25)30(38)34-26(19-23-12-6-3-7-13-23)29(37)31(39)35-28(32(40)41)20-24-14-8-4-9-15-24/h3-17,22,26-28H,18-21H2,1-2H3,(H,34,38)(H,35,39)(H,36,42)(H,40,41)/t26-,27?,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	830	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 Binding affinity of the compound against porcine erythrocyte calpain I was determined				J Med Chem 47: 72-9 (2003) Article DOI: 10.1021/jm0301336 BindingDB Entry DOI: 10.7270/Q2ZP45KD
					More data for this Ligand-Target Pair