Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-2 catalytic subunit' and Ligand = 'BDBM50189826'   

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-2 catalytic subunit (Sus scrofa)	BDBM50189826 ((S)-2-(4-fluorophenylsulfonamido)-N-((3S)-2-hydrox...) Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C15H21FN2O5S/c1-9(2)13(14(19)17-12-7-8-23-15(12)20)18-24(21,22)11-5-3-10(16)4-6-11/h3-6,9,12-13,15,18,20H,7-8H2,1-2H3,(H,17,19)/t12-,13-,15?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of porcein kidney m calpain				J Med Chem 49: 3926-32 (2006) Article DOI: 10.1021/jm060157n BindingDB Entry DOI: 10.7270/Q21R6Q48
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