BDBM50263559 ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER::2-(2-methoxyethoxy)ethyl (S)-1-((S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate::CHEMBL475920

SMILES: COCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1

InChI Key: InChIKey=PMEQLUMDXFJNRY-SFTDATJTSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50263559   

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 2 (Sus scrofa)	BDBM50263559 (((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-...) Show SMILES COCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of pig kidney m-calpain				Bioorg Med Chem Lett 18: 5174-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.089 BindingDB Entry DOI: 10.7270/Q2P55NBS
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50263559 (((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-...) Show SMILES COCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H37N3O7/c1-17(2)15-21(28-25(32)35-14-13-34-12-11-33-3)23(30)27-20(16-18-7-5-4-6-8-18)22(29)24(31)26-19-9-10-19/h4-8,17,19-21H,9-16H2,1-3H3,(H,26,31)(H,27,30)(H,28,32)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human erythrocyte mu-calpain				Bioorg Med Chem Lett 18: 5174-7 (2008) Article DOI: 10.1016/j.bmcl.2008.08.089 BindingDB Entry DOI: 10.7270/Q2P55NBS
					More data for this Ligand-Target Pair				3D Structure (crystal)