BDBM50104586 CHEMBL316418::[(R)-1-((S)-1-Benzyl-2-benzyloxycarbamoyl-2-oxo-ethylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester

SMILES: CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOCc1ccccc1

InChI Key: InChIKey=CCGXVCBAIJHVTN-IZZNHLLZSA-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 = 50104586   

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))	BDBM50104586 (CHEMBL316418 | [(R)-1-((S)-1-Benzyl-2-benzyloxycar...) Show SMILES CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NOCc1ccccc1 Show InChI InChI=1S/C30H33N3O6/c1-21(2)26(32-30(37)38-19-23-14-8-4-9-15-23)28(35)31-25(18-22-12-6-3-7-13-22)27(34)29(36)33-39-20-24-16-10-5-11-17-24/h3-17,21,25-26H,18-20H2,1-2H3,(H,31,35)(H,32,37)(H,33,36)/t25-,26+/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant Calpain 1				Bioorg Med Chem Lett 11: 2615-7 (2001) BindingDB Entry DOI: 10.7270/Q2J38RVZ
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