BDBM50039999 (S)-2-[(R)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-4-phenyl-butyrylamino]-propionic acid methyl ester::CHEMBL321936

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

InChI Key: InChIKey=PCOGTOLPOHQMSX-PMOQBDJRSA-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 = 50039999   

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))	BDBM50039999 ((S)-2-[(R)-3-((S)-2-Benzyloxycarbonylamino-4-methy...) Show SMILES COC(=O)[C@H](C)NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C28H35N3O7/c1-18(2)15-23(31-28(36)38-17-21-13-9-6-10-14-21)25(33)30-22(16-20-11-7-5-8-12-20)24(32)26(34)29-19(3)27(35)37-4/h5-14,18-19,22-23H,15-17H2,1-4H3,(H,29,34)(H,30,33)(H,31,36)/t19-,22+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	92	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
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