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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calpain-2 (m-Calpain)' and Ligand = 'BDBM50042408'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50042408
PNG
(CHEMBL419590 | [1-(1-Benzyl-2-benzylcarbamoyl-2-ox...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H35N3O5/c1-22(2)18-27(34-31(38)39-21-25-16-10-5-11-17-25)29(36)33-26(19-23-12-6-3-7-13-23)28(35)30(37)32-20-24-14-8-4-9-15-24/h3-17,22,26-27H,18-21H2,1-2H3,(H,32,37)(H,33,36)(H,34,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0460n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cysteine protease Calpain 2


J Med Chem 39: 4089-98 (1996)


Article DOI: 10.1021/jm950541c
BindingDB Entry DOI: 10.7270/Q2TX3DGR
More data for this
Ligand-Target Pair
Calpain-2 (m-Calpain)


(Homo sapiens (Human))
BDBM50042408
PNG
(CHEMBL419590 | [1-(1-Benzyl-2-benzylcarbamoyl-2-ox...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H35N3O5/c1-22(2)18-27(34-31(38)39-21-25-16-10-5-11-17-25)29(36)33-26(19-23-12-6-3-7-13-23)28(35)30(37)32-20-24-14-8-4-9-15-24/h3-17,22,26-27H,18-21H2,1-2H3,(H,32,37)(H,33,36)(H,34,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
46n/an/an/an/an/an/a8.0n/a



School of Chemistry and Biochemistry

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)


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