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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)
LigandTarget/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
pHTemp
°C
Calpain 2


(Sus scrofa)
BDBM50263559
PNG
(((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
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
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PC cid
PC sid
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Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of pig kidney m-calpain


Bioorg Med Chem Lett 18: 5174-7 (2008)

More data for this
Ligand-Target Pair
Calpain1/2


(Homo sapiens (Human))
BDBM50263559
PNG
(((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
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
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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Senju Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte mu-calpain


Bioorg Med Chem Lett 18: 5174-7 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)