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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' and Ligand = 'BDBM50034278'   
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
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50034278
PNG
(2-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyls...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-c1ccccc1-[#6](-[#8])=O
Show InChI InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+
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Article
PubMed
n/an/an/an/a 5.00E+3n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at human 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
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50034278
PNG
(2-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyls...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-c1ccccc1-[#6](-[#8])=O
Show InChI InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+
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CHEMBL
MCE
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UniChem

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Article
PubMed
n/an/an/an/a 7.00E+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-3/acetoxymethyl ester dye based FLIPR analys...


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


Article DOI: 10.1016/j.ejmech.2019.02.074
BindingDB Entry DOI: 10.7270/Q2F76GWS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50034278
PNG
(2-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyls...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-c1ccccc1-[#6](-[#8])=O
Show InChI InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+
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CHEMBL
MCE
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Article
PubMed
n/an/an/an/a 832n/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
BindingDB Entry DOI: 10.7270/Q2F76GWS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50034278
PNG
(2-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyls...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#16]-c1ccccc1-[#6](-[#8])=O
Show InChI InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 800n/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
BindingDB Entry DOI: 10.7270/Q2F76GWS
More data for this
Ligand-Target Pair