BDBM50124013 2-[(4-Fluoro-benzenesulfonyl)-methyl-amino]-N-(1-formyl-3-methyl-butyl)-3-methyl-butyramide::CHEMBL172051

SMILES: CC(C)C[C@@H](NC(=O)[C@H](C(C)C)N(C)S(=O)(=O)c1ccc(F)cc1)C=O

InChI Key: InChIKey=IGCIZAKSRNAXDY-WBVHZDCISA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50124013   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calpain1 (Homo sapiens (Human))	BDBM50124013 (2-[(4-Fluoro-benzenesulfonyl)-methyl-amino]-N-(1-f...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](C(C)C)N(C)S(=O)(=O)c1ccc(F)cc1)C=O Show InChI InChI=1S/C18H27FN2O4S/c1-12(2)10-15(11-22)20-18(23)17(13(3)4)21(5)26(24,25)16-8-6-14(19)7-9-16/h6-9,11-13,15,17H,10H2,1-5H3,(H,20,23)/t15-,17+/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	2.10E+4	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
					More data for this Ligand-Target Pair