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BDBM50263558 2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethyl (S)-1-((S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate::CHEMBL455277

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

InChI Key: InChIKey=YFDIVQUPDDCXHL-SVBPBHIXSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50263558   
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)
BDBM50263558
PNG
(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)e...)
Show SMILES COCCOCCOCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C31H49N3O10/c1-23(2)21-27(34-31(38)44-20-19-43-18-17-42-16-15-41-14-13-40-12-11-39-3)29(36)33-26(22-24-7-5-4-6-8-24)28(35)30(37)32-25-9-10-25/h4-8,23,25-27H,9-22H2,1-3H3,(H,32,37)(H,33,36)(H,34,38)/t26-,27-/m0/s1
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/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)


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))
BDBM50263558
PNG
(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)e...)
Show SMILES COCCOCCOCCOCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C31H49N3O10/c1-23(2)21-27(34-31(38)44-20-19-43-18-17-42-16-15-41-14-13-40-12-11-39-3)29(36)33-26(22-24-7-5-4-6-8-24)28(35)30(37)32-25-9-10-25/h4-8,23,25-27H,9-22H2,1-3H3,(H,32,37)(H,33,36)(H,34,38)/t26-,27-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/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)


Article DOI: 10.1016/j.bmcl.2008.08.089
BindingDB Entry DOI: 10.7270/Q2P55NBS
More data for this
Ligand-Target Pair