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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'kanda' and Initial = 'n'   
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))
BDBM50203072
PNG
(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
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PubMed
n/an/an/an/a 8.12E+3n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at TRPA1 (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127142
BindingDB Entry DOI: 10.7270/Q29C720P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548720
PNG
(CHEBI:42438 | CHEMBL1232595)
Show SMILES COc1cc(C=C)ccc1O
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KEGG
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n/an/an/an/a 8.28E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM36301
PNG
(2-Chlorophenol (2-CP) | 2-chlorophenol)
Show SMILES Oc1ccccc1Cl
Show InChI InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
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PubMed
n/an/an/an/a 5.01E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548721
PNG
(CHEMBL3186900)
Show SMILES CCc1ccc(O)c(OC)c1
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n/an/an/an/a 1.01E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548722
PNG
(CHEMBL1490403)
Show SMILES Cc1cccc(O)c1C
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n/an/an/an/a 8.60E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548725
PNG
(3-Methylcatechol | CHEBI:18404 | CHEMBL1173328)
Show SMILES Cc1cccc(O)c1O
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n/an/an/an/a 2.83E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548723
PNG
(CHEBI:17254 | CHEMBL158766)
Show SMILES Cc1ccc(O)c(O)c1
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n/an/an/an/a 1.17E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50094702
PNG
(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Show SMILES c1cc2ccccc2[nH]1
Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
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n/an/an/an/a 7.52E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50164168
PNG
(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Show SMILES COc1cc(CC=C)ccc1O
Show InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
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n/an/an/an/a 1.16E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548724
PNG
(CHEBI:50545 | CHEMBL193598)
Show SMILES COc1cc(\C=C\C)ccc1O
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n/an/an/an/a 1.49E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50240432
PNG
(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Show SMILES CC(C)c1ccc(C)cc1O
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
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n/an/an/an/a 8.69E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50483042
PNG
(CHEMBL1276241)
Show SMILES CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
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n/an/an/an/a 8.69E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair