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BDBM50010912 CHEMBL721::acrolein::acrylaldehyde

SMILES: C=CC=O

InChI Key: InChIKey=HGINCPLSRVDWNT-UHFFFAOYSA-N

Data: 1 IC50  5 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50010912   
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))
BDBM50010912
PNG
(CHEMBL721 | acrolein | acrylaldehyde)
Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
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n/an/an/an/a 5.00E+3n/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))
BDBM50010912
PNG
(CHEMBL721 | acrolein | acrylaldehyde)
Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
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n/an/an/an/a 800n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of TRPA1 channel


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
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50010912
PNG
(CHEMBL721 | acrolein | acrylaldehyde)
Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
PDB

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PubMed
n/an/an/an/a 2.69E+4n/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))
BDBM50010912
PNG
(CHEMBL721 | acrolein | acrylaldehyde)
Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
PDB

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n/an/an/an/a 2.70E+4n/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))
BDBM50010912
PNG
(CHEMBL721 | acrolein | acrylaldehyde)
Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
PDB

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KEGG

UniProtKB/SwissProt

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CHEBI
CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



University of Hull

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in Xenopus oocytes assessed as increase in calcium influx by two electrode voltage clamp method


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


Article DOI: 10.1016/j.ejmech.2019.02.074
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50010912
PNG
(CHEMBL721 | acrolein | acrylaldehyde)
Show InChI InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
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Article
PubMed
n/an/a 5.25E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at DAT in rat brain striatal synaptosomes by liquid scintillation counting analysis


J Med Chem 60: 839-885 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00788
BindingDB Entry DOI: 10.7270/Q2JW8H9T
More data for this
Ligand-Target Pair