BDBM50073849 ((S)-1-Isopropyl-4-methyl-2,5-dioxo-pentyl)-carbamic acid benzyl ester::CHEMBL31728

SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)CC(C)C=O

InChI Key: InChIKey=YISSRKAKDNMYMW-VYIIXAMBSA-N

Data: 1 KI

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 = 50073849   

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
Calpain 1/2 (Gallus gallus)	BDBM50073849 (((S)-1-Isopropyl-4-methyl-2,5-dioxo-pentyl)-carbam...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)CC(C)C=O Show InChI InChI=1S/C17H23NO4/c1-12(2)16(15(20)9-13(3)10-19)18-17(21)22-11-14-7-5-4-6-8-14/h4-8,10,12-13,16H,9,11H2,1-3H3,(H,18,21)/t13?,16-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against chicken gizzard smooth muscle calpain				Bioorg Med Chem Lett 9: 139-40 (1999) BindingDB Entry DOI: 10.7270/Q2DN4476
					More data for this Ligand-Target Pair