BDBM50105230 CHEMBL117639::N-(1-Benzyl-2-oxo-ethyl)-3-benzyloxy-2-methanesulfonylamino-propionamide

SMILES: CS(=O)(=O)NC(COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O

InChI Key: InChIKey=LFXDKGYPGBYESW-OYKVQYDMSA-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 = 50105230   

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))	BDBM50105230 (CHEMBL117639 | N-(1-Benzyl-2-oxo-ethyl)-3-benzylox...) Show SMILES CS(=O)(=O)NC(COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C20H24N2O5S/c1-28(25,26)22-19(15-27-14-17-10-6-3-7-11-17)20(24)21-18(13-23)12-16-8-4-2-5-9-16/h2-11,13,18-19,22H,12,14-15H2,1H3,(H,21,24)/t18-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against calpain-I				J Med Chem 44: 3488-503 (2001) BindingDB Entry DOI: 10.7270/Q2G44PKR
					More data for this Ligand-Target Pair