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BDBM50203065 3-phenylacrylaldehyde::3-phenylprop-2-enal::CHEMBL293492::cinnamaldehyde::trans-cinnamaldehyde

SMILES: O=C\C=C\c1ccccc1

InChI Key: InChIKey=KJPRLNWUNMBNBZ-QPJJXVBHSA-N

Data: 8 IC50  6 EC50

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 14 hits for monomerid = 50203065   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/an/an/a 5.14E+4n/an/an/an/a



Renovis Inc

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count


Bioorg Med Chem Lett 20: 276-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.113
BindingDB Entry DOI: 10.7270/Q2K074C4
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Escherichia coli)
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/a 6.86E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FtsZ polymerization


Eur J Med Chem 95: 1-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.026
BindingDB Entry DOI: 10.7270/Q2S75J14
More data for this
Ligand-Target Pair
Cell division protein FtsZ


(Escherichia coli)
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/a 5.81E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FtsZ GTPase activity


Eur J Med Chem 95: 1-15 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.026
BindingDB Entry DOI: 10.7270/Q2S75J14
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/a 5.20E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase after 10 mins by spectrophotometry


J Nat Prod 72: 1205-8 (2009)


Article DOI: 10.1021/np900031q
BindingDB Entry DOI: 10.7270/Q2QF8T0K
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Mus musculus)
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Antagonist at TRPM8 isolated from mouse dorsal root ganglion cells expressed in HEK T-REx cells assessed as inhibition of icilin-induced intracellula...


J Nat Prod 77: 285-97 (2014)


Article DOI: 10.1021/np400885u
BindingDB Entry DOI: 10.7270/Q20P11H1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Mus musculus)
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Antagonist at TRPM8 isolated from mouse dorsal root ganglion cells expressed in HEK T-REx cells assessed as inhibition of menthol-induced intracellul...


J Nat Prod 77: 285-97 (2014)


Article DOI: 10.1021/np400885u
BindingDB Entry DOI: 10.7270/Q20P11H1
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/a 3.50E+4n/an/an/an/an/an/a



School of Advanced Sciences

Curated by ChEMBL


Assay Description
Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method


Bioorg Med Chem 27: 3745-3759 (2019)


Article DOI: 10.1016/j.bmc.2019.06.040
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/an/an/a 1.90E+4n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Activation of TRPA1


Nature 445: 541-545 (2007)


Article DOI: 10.1038/nature05544
BindingDB Entry DOI: 10.7270/Q2D21ZHQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/an/an/a 6.50E+3n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium levels


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Homo sapiens (Human))
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/a 5.90E+4n/an/an/an/an/an/a



National Institute of Medicinal Materials

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry


Bioorg Med Chem Lett 22: 4625-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.051
BindingDB Entry DOI: 10.7270/Q2S46VVZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/an/an/a 9.00E+3n/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay


Eur J Med Chem 170: 141-156 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.074
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/an/an/a 8.51E+3n/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay


Eur J Med Chem 170: 141-156 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.074
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
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n/an/an/an/a 6.10E+4n/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRPA1 expressed in CHO cells assessed as increase in calcium influx by Fluo-3 based FLIPR analysis


Eur J Med Chem 170: 141-156 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.074
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50203065
PNG
(3-phenylacrylaldehyde | 3-phenylprop-2-enal | CHEM...)
Show SMILES O=C\C=C\c1ccccc1
Show InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
PDB
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n/an/a 2.45E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of COX2


J Nat Prod 68: 985-91 (2005)


Article DOI: 10.1021/np049655u
BindingDB Entry DOI: 10.7270/Q27S7PN5
More data for this
Ligand-Target Pair