Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50124021'   

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))	BDBM50124021 (2-(4-Fluoro-benzenesulfonylamino)-5-methyl-hexanoi...) Show SMILES CC(C)CC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](CC(C)C)C=O Show InChI InChI=1S/C19H29FN2O4S/c1-13(2)5-10-18(19(24)21-16(12-23)11-14(3)4)22-27(25,26)17-8-6-15(20)7-9-17/h6-9,12-14,16,18,22H,5,10-11H2,1-4H3,(H,21,24)/t16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co. Curated by ChEMBL					Assay Description In vitro inhibition of porcine mu-calpain.				J Med Chem 46: 868-71 (2003) Article DOI: 10.1021/jm0201924 BindingDB Entry DOI: 10.7270/Q2TB168Z
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