Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain small subunit 1' and Ligand = 'BDBM50101320'   

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)	BDBM50101320 (CHEMBL300270 | {(S)-1-[(S)-1-Benzyl-2-(benzyloxy-m...) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)N(C)OCc1ccccc1 Show InChI InChI=1S/C32H37N3O6/c1-23(2)19-28(34-32(39)40-21-25-15-9-5-10-16-25)30(37)33-27(20-24-13-7-4-8-14-24)29(36)31(38)35(3)41-22-26-17-11-6-12-18-26/h4-18,23,27-28H,19-22H2,1-3H3,(H,33,37)(H,34,39)/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	673	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated against porcine erythrocyte Calpain 1 at the S1 subsite of the enzyme				Bioorg Med Chem Lett 11: 1753-5 (2001) BindingDB Entry DOI: 10.7270/Q26972V8
					More data for this Ligand-Target Pair