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BDBM50112839 CHEMBL26631::N-(1-Benzyl-2-oxo-ethyl)-2-styryl-benzamide

SMILES: O=CC(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1ccccc1

InChI Key: InChIKey=QMGUOQJGNPDVOU-FOCLMDBBSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50112839   
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
Calpain1


(Homo sapiens (Human))
BDBM50112839
PNG
(CHEMBL26631 | N-(1-Benzyl-2-oxo-ethyl)-2-styryl-be...)
Show SMILES O=CC(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1ccccc1
Show InChI InChI=1S/C24H21NO2/c26-18-22(17-20-11-5-2-6-12-20)25-24(27)23-14-8-7-13-21(23)16-15-19-9-3-1-4-10-19/h1-16,18,22H,17H2,(H,25,27)/b16-15+
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
140n/an/an/an/an/an/an/an/a



Abbott GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibitory activity against human Calpain 1 isolated from erythrocytes


J Med Chem 46: 2404-12 (2003)


Article DOI: 10.1021/jm0210717
BindingDB Entry DOI: 10.7270/Q28P5ZVP
More data for this
Ligand-Target Pair
Calpain1


(Homo sapiens (Human))
BDBM50112839
PNG
(CHEMBL26631 | N-(1-Benzyl-2-oxo-ethyl)-2-styryl-be...)
Show SMILES O=CC(Cc1ccccc1)NC(=O)c1ccccc1\C=C\c1ccccc1
Show InChI InChI=1S/C24H21NO2/c26-18-22(17-20-11-5-2-6-12-20)25-24(27)23-14-8-7-13-21(23)16-15-19-9-3-1-4-10-19/h1-16,18,22H,17H2,(H,25,27)/b16-15+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
140n/an/an/an/an/an/an/an/a



Abbott GmbH&Co. KG

Curated by ChEMBL


Assay Description
Inhibition of calpain, using human mu-calpain isolated from erythrocytes and Suc-Leu-Tyr-AMC as the fluorogenic substrate


Bioorg Med Chem Lett 12: 1335-8 (2002)


BindingDB Entry DOI: 10.7270/Q2W0958R
More data for this
Ligand-Target Pair