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Compile Data Set for Download or QSAR

Found 462 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1' AND taxid = 10116   
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


(Rattus norvegicus)
BDBM50362745
PNG
(CHEMBL1939822)
Show SMILES COc1cccc(c1)C1NC(=S)N(C)C2=C1C(=O)c1ccccc21
Show InChI InChI=1S/C19H16N2O2S/c1-21-17-13-8-3-4-9-14(13)18(22)15(17)16(20-19(21)24)11-6-5-7-12(10-11)23-2/h3-10,16H,1-2H3,(H,20,24)
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n/an/a 3n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50362741
PNG
(CHEMBL1939826)
Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50362764
PNG
(CHEMBL1939833)
Show SMILES OCCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C21H20N2O3S/c24-10-3-4-11-26-14-7-5-6-13(12-14)18-17-19(23-21(27)22-18)15-8-1-2-9-16(15)20(17)25/h1-2,5-9,12,17-18,24H,3-4,10-11H2,(H,22,27)
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n/an/a 10n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50362741
PNG
(CHEMBL1939826)
Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50362768
PNG
(CHEMBL1939828)
Show SMILES COc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)/t14?,15-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50036952
PNG
(CHEMBL3355293)
Show SMILES CC(C)=CCC\C(C)=C/COC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClO2/c1-14(2)5-4-6-15(3)11-12-21-18(20)13-16-7-9-17(19)10-8-16/h5,7-11H,4,6,12-13H2,1-3H3/b15-11-
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n/an/a 13n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50362741
PNG
(CHEMBL1939826)
Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,27)/t17?,18-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay


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


(Rattus norvegicus)
BDBM50362753
PNG
(CHEMBL1939978)
Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C18H14N2O2S/c1-22-11-6-4-5-10(9-11)15-14-16(20-18(23)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)
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n/an/a 20n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50046740
PNG
(CHEMBL1939972 | US9186360, 90)
Show SMILES COCCCOc1cccc(c1)C1NC(=S)NC2=C1C(=O)c1ccccc21
Show InChI InChI=1/C21H20N2O3S/c1-25-10-5-11-26-14-7-4-6-13(12-14)18-17-19(23-21(27)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,18H,5,10-11H2,1H3,(H2,22,23,27)
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n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay


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


(Rattus norvegicus)
BDBM50037033
PNG
(CHEMBL3355302)
Show SMILES CC(C)=CCC\C(C)=C/CNC(=O)Oc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H31NO2/c1-16(2)8-7-9-17(3)14-15-22-20(23)24-19-12-10-18(11-13-19)21(4,5)6/h8,10-14H,7,9,15H2,1-6H3,(H,22,23)/b17-14-
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n/an/a 29n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50036944
PNG
(CHEMBL3355287)
Show SMILES CC(C)=CCC\C(C)=C\CNC(=O)Oc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H31NO2/c1-16(2)8-7-9-17(3)14-15-22-20(23)24-19-12-10-18(11-13-19)21(4,5)6/h8,10-14H,7,9,15H2,1-6H3,(H,22,23)/b17-14+
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n/an/a 38n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50036951
PNG
(CHEMBL3355292)
Show SMILES CC(C)=CCC\C(C)=C/COC(=O)Cc1ccc(C)cc1
Show InChI InChI=1S/C19H26O2/c1-15(2)6-5-7-16(3)12-13-21-19(20)14-18-10-8-17(4)9-11-18/h6,8-12H,5,7,13-14H2,1-4H3/b16-12-
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n/an/a 41n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50362757
PNG
(CHEMBL1939977)
Show SMILES OCc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C18H14N2O2S/c21-9-10-4-3-5-11(8-10)15-14-16(20-18(23)19-15)12-6-1-2-7-13(12)17(14)22/h1-8,14-15,21H,9H2,(H,19,23)
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n/an/a 44n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50046742
PNG
(CHEMBL3314489)
Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)Nc2c1oc1ncccc21
Show InChI InChI=1/C19H19N3O3S/c1-23-9-4-10-24-13-6-2-5-12(11-13)15-17-16(22-19(26)21-15)14-7-3-8-20-18(14)25-17/h2-3,5-8,11,15H,4,9-10H2,1H3,(H2,21,22,26)/t15-/s2
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n/an/a 45n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay


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


(Rattus norvegicus)
BDBM50362763
PNG
(CHEMBL1939832)
Show SMILES OCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C19H16N2O3S/c22-8-9-24-12-5-3-4-11(10-12)16-15-17(21-19(25)20-16)13-6-1-2-7-14(13)18(15)23/h1-7,10,15-16,22H,8-9H2,(H,20,25)
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n/an/a 47n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50037057
PNG
(CHEMBL3355306)
Show SMILES CC(CCOC(=O)Cc1ccc(Cl)cc1)CCC=C(C)C
Show InChI InChI=1/C18H25ClO2/c1-14(2)5-4-6-15(3)11-12-21-18(20)13-16-7-9-17(19)10-8-16/h5,7-10,15H,4,6,11-13H2,1-3H3
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n/an/a 48n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50362762
PNG
(CHEMBL1939836)
Show SMILES CCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C21H20N2O2S/c1-2-3-11-25-14-8-6-7-13(12-14)18-17-19(23-21(26)22-18)15-9-4-5-10-16(15)20(17)24/h4-10,12,17-18H,2-3,11H2,1H3,(H,22,26)
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n/an/a 70n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50362755
PNG
(CHEMBL1939980)
Show SMILES Brc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C17H11BrN2OS/c18-10-5-3-4-9(8-10)14-13-15(20-17(22)19-14)11-6-1-2-7-12(11)16(13)21/h1-8,13-14H,(H,19,22)
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n/an/a 71n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


Citation and Details
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...


Citation and Details
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...


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


(Rattus norvegicus)
BDBM50036956
PNG
(CHEMBL3355297)
Show SMILES CC(C)=CCC\C(C)=C/COC(=O)CCc1ccccc1
Show InChI InChI=1S/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-11,14H,7,9,12-13,15H2,1-3H3/b17-14-
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n/an/a 110n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50036948
PNG
(CHEMBL3355289)
Show SMILES CC(C)=CCC\C(C)=C/COC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H24O2/c1-14(2)6-5-7-15(3)12-13-20-18(19)17-10-8-16(4)9-11-17/h6,8-12H,5,7,13H2,1-4H3/b15-12-
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n/an/a 110n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50037056
PNG
(CHEMBL3355305)
Show SMILES CC(CCOC(=O)Cc1ccc(C)cc1)CCC=C(C)C
Show InChI InChI=1/C19H28O2/c1-15(2)6-5-7-16(3)12-13-21-19(20)14-18-10-8-17(4)9-11-18/h6,8-11,16H,5,7,12-14H2,1-4H3
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n/an/a 120n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50036937
PNG
(CHEMBL3355280)
Show SMILES CC(C)=CCC\C(C)=C\COC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H23ClO2/c1-14(2)5-4-6-15(3)11-12-21-18(20)13-16-7-9-17(19)10-8-16/h5,7-11H,4,6,12-13H2,1-3H3/b15-11+
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n/an/a 130n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50046743
PNG
(CHEMBL3314488)
Show SMILES COCCCOc1cccc(c1)C1NC(=S)Nc2c1oc1c(F)cccc21
Show InChI InChI=1/C20H19FN2O3S/c1-24-9-4-10-25-13-6-2-5-12(11-13)16-19-17(23-20(27)22-16)14-7-3-8-15(21)18(14)26-19/h2-3,5-8,11,16H,4,9-10H2,1H3,(H2,22,23,27)
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n/an/a 140n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay


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


(Rattus norvegicus)
BDBM50036949
PNG
(CHEMBL3355290)
Show SMILES CC(C)=CCC\C(C)=C/COC(=O)c1cccc(C)c1
Show InChI InChI=1S/C18H24O2/c1-14(2)7-5-8-15(3)11-12-20-18(19)17-10-6-9-16(4)13-17/h6-7,9-11,13H,5,8,12H2,1-4H3/b15-11-
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n/an/a 140n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50362767
PNG
(CHEMBL1939831)
Show SMILES COc1ccc(Oc2cccc(c2)C2NC(=S)N=C3C2C(=O)c2ccccc32)cc1
Show InChI InChI=1S/C24H18N2O3S/c1-28-15-9-11-16(12-10-15)29-17-6-4-5-14(13-17)21-20-22(26-24(30)25-21)18-7-2-3-8-19(18)23(20)27/h2-13,20-21H,1H3,(H,25,30)
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n/an/a 160n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


Citation and Details
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...


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


(Rattus norvegicus)
BDBM50036939
PNG
(CHEMBL3355282)
Show SMILES CC(C)=CCC\C(C)=C\COC(=O)CCc1ccccc1
Show InChI InChI=1S/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-11,14H,7,9,12-13,15H2,1-3H3/b17-14+
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n/an/a 170n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50036955
PNG
(CHEMBL3355296)
Show SMILES CC(C)=CCC\C(C)=C/COC(=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C22H26O2/c1-17(2)7-6-8-18(3)13-14-24-22(23)16-19-11-12-20-9-4-5-10-21(20)15-19/h4-5,7,9-13,15H,6,8,14,16H2,1-3H3/b18-13-
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n/an/a 180n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


Citation and Details
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...


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


(Rattus norvegicus)
BDBM50046745
PNG
(CHEMBL3314486)
Show SMILES O=C1C2=C(NC(=S)NC2c2cccc(OCc3ccccn3)c2)c2ccccc12
Show InChI InChI=1/C23H17N3O2S/c27-22-18-10-2-1-9-17(18)21-19(22)20(25-23(29)26-21)14-6-5-8-16(12-14)28-13-15-7-3-4-11-24-15/h1-12,20H,13H2,(H2,25,26,29)
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n/an/a 230n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay


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


(Rattus norvegicus)
BDBM50362756
PNG
(CHEMBL1939976)
Show SMILES Oc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C17H12N2O2S/c20-10-5-3-4-9(8-10)14-13-15(19-17(22)18-14)11-6-1-2-7-12(11)16(13)21/h1-8,13-14,20H,(H,18,22)
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n/an/a 230n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50046744
PNG
(CHEMBL3314487)
Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)Nc2c1oc1ccccc21
Show InChI InChI=1/C20H20N2O3S/c1-23-10-5-11-24-14-7-4-6-13(12-14)17-19-18(22-20(26)21-17)15-8-2-3-9-16(15)25-19/h2-4,6-9,12,17H,5,10-11H2,1H3,(H2,21,22,26)/t17-/s2
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n/an/a 230n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay


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


(Rattus norvegicus)
BDBM50036953
PNG
(CHEMBL3355294)
Show SMILES COc1ccc(CC(=O)OC\C=C(\C)CCC=C(C)C)cc1
Show InChI InChI=1S/C19H26O3/c1-15(2)6-5-7-16(3)12-13-22-19(20)14-17-8-10-18(21-4)11-9-17/h6,8-12H,5,7,13-14H2,1-4H3/b16-12-
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n/an/a 260n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50037034
PNG
(CHEMBL3355303)
Show SMILES CC(C)=CCC\C(C)=C/COC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H31NO2/c1-16(2)8-7-9-17(3)14-15-24-20(23)22-19-12-10-18(11-13-19)21(4,5)6/h8,10-14H,7,9,15H2,1-6H3,(H,22,23)/b17-14-
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n/an/a 290n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50362748
PNG
(CHEMBL1939984)
Show SMILES O=C1C2[C@H](NC(=S)N=C2c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H12N2OS/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,13-14H,(H,18,21)/t13?,14-/m1/s1
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n/an/a 310n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50037030
PNG
(CHEMBL3355279)
Show SMILES CC(C)=CCC\C(C)=C\COC(=O)Cc1ccc(C)cc1
Show InChI InChI=1S/C19H26O2/c1-15(2)6-5-7-16(3)12-13-21-19(20)14-18-10-8-17(4)9-11-18/h6,8-12H,5,7,13-14H2,1-4H3/b16-12+
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n/an/a 320n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50037058
PNG
(CHEMBL3355307)
Show SMILES CC(CCOC(=O)CCc1ccccc1)CCC=C(C)C
Show InChI InChI=1/C19H28O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-11,17H,7,9,12-15H2,1-3H3
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n/an/a 340n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50036950
PNG
(CHEMBL3355291)
Show SMILES CC(C)=CCC\C(C)=C/COC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C18H21NO2/c1-14(2)5-4-6-15(3)11-12-21-18(20)17-9-7-16(13-19)8-10-17/h5,7-11H,4,6,12H2,1-3H3/b15-11-
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n/an/a 340n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50046746
PNG
(CHEMBL3314485)
Show SMILES O=C1C2=C(NC(=S)NC2c2cccc(OCc3cccnc3)c2)c2ccccc12
Show InChI InChI=1/C23H17N3O2S/c27-22-18-9-2-1-8-17(18)21-19(22)20(25-23(29)26-21)15-6-3-7-16(11-15)28-13-14-5-4-10-24-12-14/h1-12,20H,13H2,(H2,25,26,29)
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n/an/a 360n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay


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


(Rattus norvegicus)
BDBM50036938
PNG
(CHEMBL3355281)
Show SMILES COc1ccc(CC(=O)OC\C=C(/C)CCC=C(C)C)cc1
Show InChI InChI=1S/C19H26O3/c1-15(2)6-5-7-16(3)12-13-22-19(20)14-17-8-10-18(21-4)11-9-17/h6,8-12H,5,7,13-14H2,1-4H3/b16-12+
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n/an/a 380n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50362751
PNG
(CHEMBL1939982)
Show SMILES Fc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C17H11FN2OS/c18-10-5-3-4-9(8-10)14-13-15(20-17(22)19-14)11-6-1-2-7-12(11)16(13)21/h1-8,13-14H,(H,19,22)
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n/an/a 390n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


Citation and Details
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...


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


(Rattus norvegicus)
BDBM50037031
PNG
(CHEMBL3355300)
Show SMILES CC(C)=CCC\C(C)=C/CNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H23ClN2O/c1-13(2)6-4-7-14(3)10-11-19-17(21)20-16-9-5-8-15(18)12-16/h5-6,8-10,12H,4,7,11H2,1-3H3,(H2,19,20,21)/b14-10-
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n/an/a 410n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50036942
PNG
(CHEMBL3355285)
Show SMILES CC(C)=CCC\C(C)=C\CNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H23ClN2O/c1-13(2)6-4-7-14(3)10-11-19-17(21)20-16-9-5-8-15(18)12-16/h5-6,8-10,12H,4,7,11H2,1-3H3,(H2,19,20,21)/b14-10+
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n/an/a 480n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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


(Rattus norvegicus)
BDBM50362743
PNG
(CHEMBL1939823)
Show SMILES COCCCOc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21
Show InChI InChI=1S/C21H20N2O4/c1-26-10-5-11-27-14-7-4-6-13(12-14)18-17-19(23-21(25)22-18)15-8-2-3-9-16(15)20(17)24/h2-4,6-9,12,17-18H,5,10-11H2,1H3,(H,22,25)
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n/an/a 500n/an/an/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of BITC-induced increase in intracellular calcium concentration by ...


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


(Rattus norvegicus)
BDBM50046738
PNG
(CHEMBL3314482)
Show SMILES COCCCOc1cncc(c1)C1NC(=S)NC2=C1C(=O)c1ccccc21
Show InChI InChI=1/C20H19N3O3S/c1-25-7-4-8-26-13-9-12(10-21-11-13)17-16-18(23-20(27)22-17)14-5-2-3-6-15(14)19(16)24/h2-3,5-6,9-11,17H,4,7-8H2,1H3,(H2,22,23,27)
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n/an/a 530n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced calcium uptake by [45Ca2+] fluorimetry assay


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Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50036945
PNG
(CHEMBL3355288)
Show SMILES CC(C)=CCC\C(C)=C\CNC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H32N2O/c1-16(2)8-7-9-17(3)14-15-22-20(24)23-19-12-10-18(11-13-19)21(4,5)6/h8,10-14H,7,9,15H2,1-6H3,(H2,22,23,24)/b17-14+
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n/an/a 570n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration b...


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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...


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Ligand-Target Pair
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