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BDBM50042413 3-[4-Methyl-2-(naphthalene-2-sulfonylamino)-pentanoylamino]-2-oxo-pentanoic acid ethyl ester::CHEMBL115957

SMILES: CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=AJCSIIZYOAIBNX-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50042413   
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 (m-Calpain)


(Homo sapiens (Human))
BDBM50042413
PNG
(3-[4-Methyl-2-(naphthalene-2-sulfonylamino)-pentan...)
Show SMILES CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O6S/c1-5-19(21(26)23(28)31-6-2)24-22(27)20(13-15(3)4)25-32(29,30)18-12-11-16-9-7-8-10-17(16)14-18/h7-12,14-15,19-20,25H,5-6,13H2,1-4H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20E+3n/an/an/an/an/an/a8.0n/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0


J Med Chem 36: 3472-80 (1993)


Article DOI: 10.1021/jm00074a031
BindingDB Entry DOI: 10.7270/Q2F76BK3
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))
BDBM50042413
PNG
(3-[4-Methyl-2-(naphthalene-2-sulfonylamino)-pentan...)
Show SMILES CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H30N2O6S/c1-5-19(21(26)23(28)31-6-2)24-22(27)20(13-15(3)4)25-32(29,30)18-12-11-16-9-7-8-10-17(16)14-18/h7-12,14-15,19-20,25H,5-6,13H2,1-4H3,(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+4n/an/an/an/an/an/a5.2n/a



Georgia Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of alpha-keto esters towards cathepsin B at pH 5.2


J Med Chem 36: 3472-80 (1993)


Article DOI: 10.1021/jm00074a031
BindingDB Entry DOI: 10.7270/Q2F76BK3
More data for this
Ligand-Target Pair