BDBM50040008 CHEMBL100395::[(S)-1-(3-Ethylcarbamoyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid tert-butyl ester

SMILES: CCNC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

InChI Key: InChIKey=IAHIIWRFLSEBCC-ZDUSSCGKSA-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 = 50040008   

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))	BDBM50040008 (CHEMBL100395 | [(S)-1-(3-Ethylcarbamoyl-propylcarb...) Show SMILES CCNC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C Show InChI InChI=1S/C17H33N3O4/c1-7-18-14(21)9-8-10-19-15(22)13(11-12(2)3)20-16(23)24-17(4,5)6/h12-13H,7-11H2,1-6H3,(H,18,21)(H,19,22)(H,20,23)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alkermes, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of porcine erythrocyte calpain 1.				J Med Chem 37: 2918-29 (1994) BindingDB Entry DOI: 10.7270/Q2BR8R64
					More data for this Ligand-Target Pair