Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50291183'   

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))	BDBM50291183 ((S)-2-Acetylamino-N-[(R)-1-((R)-1-formyl-3-methyl-...) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(C)=O)C(C)C)C=O Show InChI InChI=1S/C22H33N3O4/c1-14(2)11-18(13-26)24-21(28)19(12-17-9-7-6-8-10-17)25-22(29)20(15(3)4)23-16(5)27/h6-10,13-15,18-20H,11-12H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)/t18-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity evaluated against recombinant human calpain 1				Bioorg Med Chem Lett 7: 539-544 (1997) Article DOI: 10.1016/S0960-894X(97)00063-2 BindingDB Entry DOI: 10.7270/Q2W37WBM
					More data for this Ligand-Target Pair