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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50305207
PNG
(4-(4-chlorophenyl)-3-methylbut-3-en-2-one oxime | ...)
Show SMILES CC(N=O)C(C)=Cc1ccc(Cl)cc1
Show InChI InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,9H,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPA1 channel expressed in CHO cells assessed as inhibition of cinnamaldehyde-induced intracellular calcium influx


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50318495
PNG
(Bay k 8644 | CHEMBL1082832 | methyl 2,6-dimethyl-5...)
Show SMILES COC(=O)C1=C(C)N=C(C)C(C1c1ccccc1C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13-14H,1-3H3
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n/an/an/an/a 3.27E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50318496
PNG
((R)-methyl 2,6-dimethyl-5-nitro-4-(2-(trifluoromet...)
Show SMILES COC(=O)C1=C(C)N=C(C)C([C@@H]1c1ccccc1C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13-14H,1-3H3/t13-,14?/m1/s1
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n/an/an/an/a 2.08E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50318497
PNG
((S)-methyl 2,6-dimethyl-5-nitro-4-(2-(trifluoromet...)
Show SMILES COC(=O)C1=C(C)N=C(C)C([C@H]1c1ccccc1C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13-14H,1-3H3/t13-,14?/m0/s1
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n/an/an/an/a 4.15E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50240948
PNG
(CHEMBL359965 | S-allyl prop-2-ene-1-sulfinothioate...)
Show SMILES C=CCSS(=O)CC=C
Show InChI InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
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n/an/an/an/a 1.32E+3n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of mouse TRPA1 channel


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50318482
PNG
((-)-menthol | CHEMBL470670 | MENTHOL | l-menthol)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
Show InChI InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
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n/an/an/an/a 5.60E+4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Antagonist activity at mouse TRPA1 channel expressed in CHO cells assessed as blockade of agonist-induced whole cell conductance by electrophysiology


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
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n/an/an/an/a 3.80E+3n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50367298
PNG
(Cardene | NICARDIPINE)
Show SMILES COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,22,24H,13-14,16H2,1-4H3
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n/an/an/an/a 500n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50318493
PNG
(3-isopropyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-n...)
Show SMILES COCCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C
Show InChI InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,18-19H,9-10H2,1-5H3
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n/an/an/an/a 800n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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n/an/an/an/a 400n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM61009
PNG
((1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetra...)
Show SMILES C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21
Show InChI InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1
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n/an/an/an/a 2.58E+3n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at mouse TRPA1 channel expressed in HEK293 cells assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM61009
PNG
((1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetra...)
Show SMILES C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21
Show InChI InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1
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n/an/an/an/a 1.30E+5n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at TRPA1 channel in mouse dorsal root ganglion cells assessed as increase in intracellular calcium influx by radiometric Ca2+ imagin...


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
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/an/an/a 1.00E+6n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of mouse TRPA1 channel


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Mus musculus)
BDBM50318464
PNG
(CHEMBL1086339 | N-(4-sec-butylphenyl)-2-(1,3-dimet...)
Show SMILES CCC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1
Show InChI InChI=1S/C19H23N5O3/c1-5-12(2)13-6-8-14(9-7-13)21-15(25)10-24-11-20-17-16(24)18(26)23(4)19(27)22(17)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,25)
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n/an/an/an/a 2.50E+6n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of mouse TRPA1 channel


J Med Chem 53: 5085-107 (2010)

More data for this
Ligand-Target Pair