BDBM50124016 2-(4-Fluoro-benzenesulfonylamino)-4-methyl-pentanoic acid (1-formyl-3-methyl-butyl)-amide::CHEMBL169103

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

InChI Key: InChIKey=GBDAXUNCLIZQRN-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 = 50124016   

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))	BDBM50124016 (2-(4-Fluoro-benzenesulfonylamino)-4-methyl-pentano...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(F)cc1)C=O Show InChI InChI=1S/C18H27FN2O4S/c1-12(2)9-15(11-22)20-18(23)17(10-13(3)4)21-26(24,25)16-7-5-14(19)6-8-16/h5-8,11-13,15,17,21H,9-10H2,1-4H3,(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	130	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