BDBM50137934 2-[(S)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-4-phenyl-butyrylamino]-3-(S)-phenyl-propionic acid methyl ester::CHEMBL178057

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

InChI Key: InChIKey=HNOQXIHXDUUCOW-QBGWAWDMSA-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 = 50137934   

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 small subunit 1 (Sus scrofa)	BDBM50137934 (2-[(S)-3-((S)-2-Benzyloxycarbonylamino-4-methyl-pe...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C34H39N3O7/c1-23(2)19-28(37-34(42)44-22-26-17-11-6-12-18-26)31(39)35-27(20-24-13-7-4-8-14-24)30(38)32(40)36-29(33(41)43-3)21-25-15-9-5-10-16-25/h4-18,23,27-29H,19-22H2,1-3H3,(H,35,39)(H,36,40)(H,37,42)/t27-,28?,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity of the compound against porcine erythrocyte calpain I was determined				J Med Chem 47: 72-9 (2003) Article DOI: 10.1021/jm0301336 BindingDB Entry DOI: 10.7270/Q2ZP45KD
					More data for this Ligand-Target Pair