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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'stoakley' 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))
BDBM50022322
PNG
(CHEMBL3298923)
Show SMILES Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2/c1-9-6-14-10(8-19-20-14)7-12(9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022322
PNG
(CHEMBL3298923)
Show SMILES Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2/c1-9-6-14-10(8-19-20-14)7-12(9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 18n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of allyl isothiocyanate-induced calcium flux incubated 10 mins ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022322
PNG
(CHEMBL3298923)
Show SMILES Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2/c1-9-6-14-10(8-19-20-14)7-12(9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of dibenzo[b,f ][1,4]oxazepine-4-carboxamide-induced calcium fl...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022321
PNG
(CHEMBL3298922)
Show SMILES FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1Cl
Show InChI InChI=1S/C14H8ClF3N2/c15-12-6-13-8(7-19-20-13)5-10(12)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
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n/an/a 24n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022347
PNG
(CHEMBL3299022)
Show SMILES FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1OCC1CC1
Show InChI InChI=1S/C18H15F3N2O/c19-18(20,21)15-4-2-1-3-13(15)14-7-12-9-22-23-16(12)8-17(14)24-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,23)
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n/an/a 26n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022327
PNG
(CHEMBL3299019)
Show SMILES COc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O/c1-21-14-7-13-9(8-19-20-13)6-11(14)10-4-2-3-5-12(10)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 26n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022349
PNG
(CHEMBL3299024)
Show SMILES FC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H8F6N2O/c16-14(17,18)11-4-2-1-3-9(11)10-5-8-7-22-23-12(8)6-13(10)24-15(19,20)21/h1-7H,(H,22,23)
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n/an/a 36n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022328
PNG
(CHEMBL3299020)
Show SMILES CCOc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H13F3N2O/c1-2-22-15-8-14-10(9-20-21-14)7-12(15)11-5-3-4-6-13(11)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
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n/an/a 39n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022317
PNG
(CHEMBL3298251)
Show SMILES Fc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C14H8F4N2/c15-12-6-13-8(7-19-20-13)5-10(12)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
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n/an/a 48n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022323
PNG
(CHEMBL3298924)
Show SMILES CCc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H13F3N2/c1-2-10-8-15-11(9-20-21-15)7-13(10)12-5-3-4-6-14(12)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
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n/an/a 50n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022389
PNG
(CHEMBL3299025)
Show SMILES FC(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H9F5N2O/c16-14(17)23-13-6-12-8(7-21-22-12)5-10(13)9-3-1-2-4-11(9)15(18,19)20/h1-7,14H,(H,21,22)
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n/an/a 50n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50022322
PNG
(CHEMBL3298923)
Show SMILES Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2/c1-9-6-14-10(8-19-20-14)7-12(9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 53n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022325
PNG
(CHEMBL3298926)
Show SMILES FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1C1CC1
Show InChI InChI=1S/C17H13F3N2/c18-17(19,20)15-4-2-1-3-12(15)14-7-11-9-21-22-16(11)8-13(14)10-5-6-10/h1-4,7-10H,5-6H2,(H,21,22)
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n/an/a 61n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022307
PNG
(CHEMBL3298242)
Show SMILES FC(F)(F)c1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-18-19-13/h1-8H,(H,18,19)
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n/an/a 84n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of allyl isothiocyanate-induced calcium flux incubated 10 mins ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50022322
PNG
(CHEMBL3298923)
Show SMILES Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2/c1-9-6-14-10(8-19-20-14)7-12(9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 89n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior to...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50022321
PNG
(CHEMBL3298922)
Show SMILES FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1Cl
Show InChI InChI=1S/C14H8ClF3N2/c15-12-6-13-8(7-19-20-13)5-10(12)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
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n/an/a 94n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50022327
PNG
(CHEMBL3299019)
Show SMILES COc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O/c1-21-14-7-13-9(8-19-20-13)6-11(14)10-4-2-3-5-12(10)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 99n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior to...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022326
PNG
(CHEMBL3298927)
Show SMILES FC(F)c1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H9F5N2/c16-14(17)11-6-13-8(7-21-22-13)5-10(11)9-3-1-2-4-12(9)15(18,19)20/h1-7,14H,(H,21,22)
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n/an/a 103n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50022347
PNG
(CHEMBL3299022)
Show SMILES FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1OCC1CC1
Show InChI InChI=1S/C18H15F3N2O/c19-18(20,21)15-4-2-1-3-13(15)14-7-12-9-22-23-16(12)8-17(14)24-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,23)
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n/an/a 104n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022467
PNG
(CHEMBL3299026)
Show SMILES FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1C#N
Show InChI InChI=1S/C15H8F3N3/c16-15(17,18)13-4-2-1-3-11(13)12-5-10-8-20-21-14(10)6-9(12)7-19/h1-6,8H,(H,20,21)
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n/an/a 129n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022348
PNG
(CHEMBL3299023)
Show SMILES COCc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H13F3N2O/c1-22-9-11-7-15-10(8-20-21-15)6-13(11)12-4-2-3-5-14(12)16(17,18)19/h2-8H,9H2,1H3,(H,20,21)
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n/an/a 142n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50022327
PNG
(CHEMBL3299019)
Show SMILES COc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O/c1-21-14-7-13-9(8-19-20-13)6-11(14)10-4-2-3-5-12(10)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 161n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022307
PNG
(CHEMBL3298242)
Show SMILES FC(F)(F)c1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-18-19-13/h1-8H,(H,18,19)
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n/an/a 164n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50022321
PNG
(CHEMBL3298922)
Show SMILES FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1Cl
Show InChI InChI=1S/C14H8ClF3N2/c15-12-6-13-8(7-19-20-13)5-10(12)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
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n/an/a 169n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior to...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50022347
PNG
(CHEMBL3299022)
Show SMILES FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1OCC1CC1
Show InChI InChI=1S/C18H15F3N2O/c19-18(20,21)15-4-2-1-3-13(15)14-7-12-9-22-23-16(12)8-17(14)24-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,23)
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n/an/a 190n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior to...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50022307
PNG
(CHEMBL3298242)
Show SMILES FC(F)(F)c1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-18-19-13/h1-8H,(H,18,19)
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n/an/a 252n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50022349
PNG
(CHEMBL3299024)
Show SMILES FC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H8F6N2O/c16-14(17,18)11-4-2-1-3-9(11)10-5-8-7-22-23-12(8)6-13(10)24-15(19,20)21/h1-7H,(H,22,23)
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n/an/a 254n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022316
PNG
(CHEMBL3298250)
Show SMILES Fc1c(ccc2[nH]ncc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C14H8F4N2/c15-13-9(5-6-12-10(13)7-19-20-12)8-3-1-2-4-11(8)14(16,17)18/h1-7H,(H,19,20)
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n/an/a 296n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022314
PNG
(CHEMBL3298248)
Show SMILES Fc1ccc(c(c1)-c1ccc2[nH]ncc2c1)C(F)(F)F
Show InChI InChI=1S/C14H8F4N2/c15-10-2-3-12(14(16,17)18)11(6-10)8-1-4-13-9(5-8)7-19-20-13/h1-7H,(H,19,20)
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n/an/a 306n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50022307
PNG
(CHEMBL3298242)
Show SMILES FC(F)(F)c1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-18-19-13/h1-8H,(H,18,19)
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n/an/a 400n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior to...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022286
PNG
(CHEMBL3298240)
Show SMILES CC(C)c1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H16N2/c1-11(2)14-5-3-4-6-15(14)12-7-8-16-13(9-12)10-17-18-16/h3-11H,1-2H3,(H,17,18)
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n/an/a 514n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022307
PNG
(CHEMBL3298242)
Show SMILES FC(F)(F)c1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9F3N2/c15-14(16,17)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-18-19-13/h1-8H,(H,18,19)
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n/an/a 550n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of dibenzo[b,f ][1,4]oxazepine-4-carboxamide-induced calcium fl...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022284
PNG
(CHEMBL3298239)
Show SMILES CCc1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C15H14N2/c1-2-11-5-3-4-6-14(11)12-7-8-15-13(9-12)10-16-17-15/h3-10H,2H2,1H3,(H,16,17)
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n/an/a 584n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50022349
PNG
(CHEMBL3299024)
Show SMILES FC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H8F6N2O/c16-14(17,18)11-4-2-1-3-9(11)10-5-8-7-22-23-12(8)6-13(10)24-15(19,20)21/h1-7H,(H,22,23)
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n/an/a 627n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior to...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022346
PNG
(CHEMBL3299021)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C17H15F3N2O/c1-10(2)23-16-8-15-11(9-21-22-15)7-13(16)12-5-3-4-6-14(12)17(18,19)20/h3-10H,1-2H3,(H,21,22)
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n/an/a 970n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022255
PNG
(CHEMBL3298235)
Show SMILES Clc1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C13H9ClN2/c14-12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-15-16-13/h1-8H,(H,15,16)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022315
PNG
(CHEMBL3298249)
Show SMILES Fc1cccc(c1-c1ccc2[nH]ncc2c1)C(F)(F)F
Show InChI InChI=1S/C14H8F4N2/c15-11-3-1-2-10(14(16,17)18)13(11)8-4-5-12-9(6-8)7-19-20-12/h1-7H,(H,19,20)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022311
PNG
(CHEMBL3298245)
Show SMILES N#Cc1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9N3/c15-8-11-3-1-2-4-13(11)10-5-6-14-12(7-10)9-16-17-14/h1-7,9H,(H,16,17)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022308
PNG
(CHEMBL3298243)
Show SMILES FC(F)c1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H10F2N2/c15-14(16)12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-17-18-13/h1-8,14H,(H,17,18)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50318463
PNG
(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...)
Show SMILES CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1
Show InChI InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at TRPA1 (unknown origin)


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022318
PNG
(CHEMBL3298252)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2/c1-9-12-8-10(6-7-14(12)20-19-9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 3.09E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022288
PNG
(CHEMBL3298241)
Show SMILES CC(C)(C)c1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C17H18N2/c1-17(2,3)15-7-5-4-6-14(15)12-8-9-16-13(10-12)11-18-19-16/h4-11H,1-3H3,(H,18,19)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022310
PNG
(CHEMBL3298244)
Show SMILES FC(F)(F)Oc1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H9F3N2O/c15-14(16,17)20-13-4-2-1-3-11(13)9-5-6-12-10(7-9)8-18-19-12/h1-8H,(H,18,19)
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n/an/a 3.43E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022258
PNG
(CHEMBL3298237)
Show SMILES Fc1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C13H9FN2/c14-12-4-2-1-3-11(12)9-5-6-13-10(7-9)8-15-16-13/h1-8H,(H,15,16)
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n/an/a 3.95E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50022347
PNG
(CHEMBL3299022)
Show SMILES FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1OCC1CC1
Show InChI InChI=1S/C18H15F3N2O/c19-18(20,21)15-4-2-1-3-13(15)14-7-12-9-22-23-16(12)8-17(14)24-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,23)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHOK1 cells assessed as inhibition of menthol-induced calcium flux incubated 10 mins prior to menthol...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50022322
PNG
(CHEMBL3298923)
Show SMILES Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2/c1-9-6-14-10(8-19-20-14)7-12(9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced calcium flux incubated 10 mins prior to capsa...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50022349
PNG
(CHEMBL3299024)
Show SMILES FC(F)(F)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H8F6N2O/c16-14(17,18)11-4-2-1-3-9(11)10-5-8-7-22-23-12(8)6-13(10)24-15(19,20)21/h1-7H,(H,22,23)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in CHOK1 cells assessed as inhibition of menthol-induced calcium flux incubated 10 mins prior to menthol...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022319
PNG
(CHEMBL3298920)
Show SMILES Cc1cc(cc2cn[nH]c12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2/c1-9-6-10(7-11-8-19-20-14(9)11)12-4-2-3-5-13(12)15(16,17)18/h2-8H,1H3,(H,19,20)
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n/an/a 6.72E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022320
PNG
(CHEMBL3298921)
Show SMILES Cn1ncc2cc(ccc12)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H11F3N2/c1-20-14-7-6-10(8-11(14)9-19-20)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3
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n/an/a 7.41E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50022259
PNG
(CHEMBL3298238)
Show SMILES Cc1ccccc1-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C14H12N2/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-15-16-14/h2-9H,1H3,(H,15,16)
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n/an/a 7.81E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in CHO-TREX cells assessed as inhibition of cinnamaldehyde-induced calcium flux incubated 10 mins prior ...


J Med Chem 57: 5129-40 (2014)


Article DOI: 10.1021/jm401986p
BindingDB Entry DOI: 10.7270/Q2833TKT
More data for this
Ligand-Target Pair
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