Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50366612'   

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))	BDBM50366612 (CHEMBL1794817) Show SMILES O[C@H]1O[C@@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C23H22N2O5/c26-20-15-9-4-5-10-16(15)21(27)25(20)17-11-6-12-19-24(22(17)28)18(23(29)30-19)13-14-7-2-1-3-8-14/h1-5,7-10,17-19,23,29H,6,11-13H2/t17-,18+,19+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
					More data for this Ligand-Target Pair