Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50080228'   

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))	BDBM50080228 ((S)-3-(3-Methyl-butyrylamino)-2-oxo-4-phenyl-N-[2-...) Show SMILES CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(s1)-c1ccccn1 Show InChI InChI=1S/C26H30N4O5S2/c1-18(2)16-23(31)30-21(17-19-8-4-3-5-9-19)25(32)26(33)28-14-15-29-37(34,35)24-12-11-22(36-24)20-10-6-7-13-27-20/h3-13,18,21,29H,14-17H2,1-2H3,(H,28,33)(H,30,31)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Calpain 1				Bioorg Med Chem Lett 9: 2371-4 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BHT
					More data for this Ligand-Target Pair