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Compile Data Set for Download or QSAR

Found 3634 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1'   
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))
BDBM50327667
PNG
(CHEMBL1084637 | Dibenzo[b,f][1,4]oxazepine-4-carbo...)
Show SMILES COC(=O)c1cccc2C=Nc3ccccc3Oc12 |c:9|
Show InChI InChI=1S/C15H11NO3/c1-18-15(17)11-6-4-5-10-9-16-12-7-2-3-8-13(12)19-14(10)11/h2-9H,1H3
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n/an/an/an/a 0.0603n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327675
PNG
(CHEMBL1084640 | Dibenzo[b,f][1,4]oxazepine-4-carbo...)
Show SMILES NC(=O)c1cccc2C=Nc3ccccc3Oc12 |c:8|
Show InChI InChI=1S/C14H10N2O2/c15-14(17)10-5-3-4-9-8-16-11-6-1-2-7-12(11)18-13(9)10/h1-8H,(H2,15,17)
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n/an/an/an/a 0.0759n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327675
PNG
(CHEMBL1084640 | Dibenzo[b,f][1,4]oxazepine-4-carbo...)
Show SMILES NC(=O)c1cccc2C=Nc3ccccc3Oc12 |c:8|
Show InChI InChI=1S/C14H10N2O2/c15-14(17)10-5-3-4-9-8-16-11-6-1-2-7-12(11)18-13(9)10/h1-8H,(H2,15,17)
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n/an/an/an/a 0.0800n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327658
PNG
(11H-Dibenzo[b,e]-azepine-10-carboxylic Acid Methyl...)
Show SMILES COC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:9|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-6-12-10-17-15-8-3-2-5-11(15)9-14(12)13/h2-8,10H,9H2,1H3
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n/an/an/an/a 0.100n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327673
PNG
(CHEMBL1256241 | Dibenzo[b,f][1,4]oxazepine-6-carbo...)
Show SMILES N#Cc1cccc2N=Cc3ccccc3Oc12 |c:7|
Show InChI InChI=1S/C14H8N2O/c15-8-10-5-3-6-12-14(10)17-13-7-2-1-4-11(13)9-16-12/h1-7,9H
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n/an/an/an/a 0.100n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327676
PNG
(CHEMBL1084097 | Dibenzo[b,f][1,4]oxazepine-6-carbo...)
Show SMILES NC(=O)c1cccc2N=Cc3ccccc3Oc12 |c:8|
Show InChI InChI=1S/C14H10N2O2/c15-14(17)10-5-3-6-11-13(10)18-12-7-2-1-4-9(12)8-16-11/h1-8H,(H2,15,17)
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n/an/an/an/a 0.110n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327676
PNG
(CHEMBL1084097 | Dibenzo[b,f][1,4]oxazepine-6-carbo...)
Show SMILES NC(=O)c1cccc2N=Cc3ccccc3Oc12 |c:8|
Show InChI InChI=1S/C14H10N2O2/c15-14(17)10-5-3-6-11-13(10)18-12-7-2-1-4-9(12)8-16-11/h1-8H,(H2,15,17)
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n/an/an/an/a 0.115n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50415923
PNG
(CHEMBL1084098)
Show SMILES COC(=O)c1cccc2N=Cc3ccccc3Oc12 |c:9|
Show InChI InChI=1S/C15H11NO3/c1-18-15(17)11-6-4-7-12-14(11)19-13-8-3-2-5-10(13)9-16-12/h2-9H,1H3
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n/an/an/an/a 0.117n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327672
PNG
(CHEMBL1256240 | Dibenzo[b,f][1,4]oxazepine-4-carbo...)
Show SMILES N#Cc1cccc2C=Nc3ccccc3Oc12 |c:7|
Show InChI InChI=1S/C14H8N2O/c15-8-10-4-3-5-11-9-16-12-6-1-2-7-13(12)17-14(10)11/h1-7,9H
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n/an/an/an/a 0.150n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50318511
PNG
(CHEMBL1085100 | dibenzo[b,f][1,4]oxazepine)
Show SMILES O1c2ccccc2C=Nc2ccccc12 |c:8|
Show InChI InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H
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n/an/an/an/a 0.300n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50318511
PNG
(CHEMBL1085100 | dibenzo[b,f][1,4]oxazepine)
Show SMILES O1c2ccccc2C=Nc2ccccc12 |c:8|
Show InChI InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H
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n/an/an/an/a 0.302n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327661
PNG
(11H-dibenzo[b,e]azepine-2-carboxylic acid methyl e...)
Show SMILES COC(=O)c1ccc2N=Cc3ccccc3Cc2c1 |c:8|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)12-6-7-15-14(9-12)8-11-4-2-3-5-13(11)10-17-15/h2-7,9-10H,8H2,1H3
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n/an/an/an/a 0.400n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327660
PNG
(11H-Dibenzo[b,e]azepine-1-carboxylic acid methyl e...)
Show SMILES COC(=O)c1cccc2N=Cc3ccccc3Cc12 |c:9|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-8-15-14(13)9-11-5-2-3-6-12(11)10-17-15/h2-8,10H,9H2,1H3
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n/an/an/an/a 0.575n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327661
PNG
(11H-dibenzo[b,e]azepine-2-carboxylic acid methyl e...)
Show SMILES COC(=O)c1ccc2N=Cc3ccccc3Cc2c1 |c:8|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)12-6-7-15-14(9-12)8-11-4-2-3-5-13(11)10-17-15/h2-7,9-10H,8H2,1H3
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n/an/an/an/a 0.575n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327660
PNG
(11H-Dibenzo[b,e]azepine-1-carboxylic acid methyl e...)
Show SMILES COC(=O)c1cccc2N=Cc3ccccc3Cc12 |c:9|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-8-15-14(13)9-11-5-2-3-6-12(11)10-17-15/h2-8,10H,9H2,1H3
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n/an/an/an/a 0.600n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327657
PNG
(2-chlorobenzylidenemalononitrile | CHEMBL1256101)
Show SMILES Clc1ccccc1\[#6]=[#6](\C#N)C#N
Show InChI InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H
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n/an/an/an/a 0.900n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327671
PNG
(11H-Dibenzo[b,e]azepine-10-carbonitrile hydrochlor...)
Show SMILES N#Cc1cccc2C=Nc3ccccc3Cc12 |c:7|
Show InChI InChI=1S/C15H10N2/c16-9-12-5-3-6-13-10-17-15-7-2-1-4-11(15)8-14(12)13/h1-7,10H,8H2
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n/an/an/an/a 1.60n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327656
PNG
(CHEMBL1256339 | Dibenzo[b,f][1,4]oxazepin-3-o)
Show SMILES Oc1ccc2C=Nc3ccccc3Oc2c1 |c:5|
Show InChI InChI=1S/C13H9NO2/c15-10-6-5-9-8-14-11-3-1-2-4-12(11)16-13(9)7-10/h1-8,15H
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n/an/an/an/a 2.10n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327674
PNG
(11H-Dibenzo[b,e]azepine-10-carboxylic amide | CHEM...)
Show SMILES NC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:8|
Show InChI InChI=1S/C15H12N2O/c16-15(18)12-6-3-5-11-9-17-14-7-2-1-4-10(14)8-13(11)12/h1-7,9H,8H2,(H2,16,18)
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n/an/an/an/a 2.5n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327659
PNG
(11H-dibenzo[b,e]azepine | CHEMBL1085101 | morphant...)
Show SMILES C1c2ccccc2C=Nc2ccccc12 |c:8|
Show InChI InChI=1S/C14H11N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,10H,9H2
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n/an/an/an/a 3n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327659
PNG
(11H-dibenzo[b,e]azepine | CHEMBL1085101 | morphant...)
Show SMILES C1c2ccccc2C=Nc2ccccc12 |c:8|
Show InChI InChI=1S/C14H11N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,10H,9H2
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n/an/an/an/a 3.02n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327669
PNG
(10-Bromo-11H-dibenzo[b,e]azepine hydrochloride | C...)
Show SMILES Brc1cccc2C=Nc3ccccc3Cc12 |c:6|
Show InChI InChI=1S/C14H10BrN/c15-13-6-3-5-11-9-16-14-7-2-1-4-10(14)8-12(11)13/h1-7,9H,8H2
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n/an/an/an/a 3.5n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50318461
PNG
(4-methyl-N-(2,2,2-trichloro-1-(4-chlorophenylthio)...)
Show SMILES Cc1ccc(cc1)C(=O)NC(Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H13Cl4NOS/c1-10-2-4-11(5-3-10)14(22)21-15(16(18,19)20)23-13-8-6-12(17)7-9-13/h2-9,15H,1H3,(H,21,22)
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n/an/an/an/a 3.80n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at TRPA1 channel in rat DRG neurons assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50318462
PNG
(4-methyl-N-(2,2,2-trichloro-1-(4-nitrophenylthio)e...)
Show SMILES Cc1ccc(cc1)C(=O)NC(Sc1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl
Show InChI InChI=1S/C16H13Cl3N2O3S/c1-10-2-4-11(5-3-10)14(22)20-15(16(17,18)19)25-13-8-6-12(7-9-13)21(23)24/h2-9,15H,1H3,(H,20,22)
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n/an/an/an/a 4n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at TRPA1 channel in rat DRG neurons assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327658
PNG
(11H-Dibenzo[b,e]-azepine-10-carboxylic Acid Methyl...)
Show SMILES COC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:9|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-6-12-10-17-15-8-3-2-5-11(15)9-14(12)13/h2-8,10H,9H2,1H3
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n/an/an/an/a 4.40n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as time point of maximal current amplitude by patch-clamp electrophysiology


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327666
PNG
(CHEMBL1085943 | Dibenzo[b,f][1,4]oxazepine-3-carbo...)
Show SMILES COC(=O)c1ccc2C=Nc3ccccc3Oc2c1 |c:8|
Show InChI InChI=1S/C15H11NO3/c1-18-15(17)10-6-7-11-9-16-12-4-2-3-5-13(12)19-14(11)8-10/h2-9H,1H3
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n/an/an/an/a 6n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327678
PNG
(11H-dibenzo[b,e]azepine-10-carboxylic acid butyl e...)
Show SMILES CCCCOC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:12|
Show InChI InChI=1S/C19H19NO2/c1-2-3-11-22-19(21)16-9-6-8-15-13-20-18-10-5-4-7-14(18)12-17(15)16/h4-10,13H,2-3,11-12H2,1H3
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n/an/an/an/a 6.20n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327667
PNG
(CHEMBL1084637 | Dibenzo[b,f][1,4]oxazepine-4-carbo...)
Show SMILES COC(=O)c1cccc2C=Nc3ccccc3Oc12 |c:9|
Show InChI InChI=1S/C15H11NO3/c1-18-15(17)11-6-4-5-10-9-16-12-7-2-3-8-13(12)19-14(10)11/h2-9H,1H3
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n/an/an/an/a 7.40n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as time point of maximal current amplitude by patch-clamp electrophysiology


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327680
PNG
(11H-Dibenzo[b,e]azepine-10-carboxylic acid(3-metho...)
Show SMILES COCCCNC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:13|
Show InChI InChI=1S/C19H20N2O2/c1-23-11-5-10-20-19(22)16-8-4-7-15-13-21-18-9-3-2-6-14(18)12-17(15)16/h2-4,6-9,13H,5,10-12H2,1H3,(H,20,22)
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n/an/an/an/a 7.70n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327678
PNG
(11H-dibenzo[b,e]azepine-10-carboxylic acid butyl e...)
Show SMILES CCCCOC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:12|
Show InChI InChI=1S/C19H19NO2/c1-2-3-11-22-19(21)16-9-6-8-15-13-20-18-10-5-4-7-14(18)12-17(15)16/h4-10,13H,2-3,11-12H2,1H3
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n/an/an/an/a 8.51n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327654
PNG
(CHEMBL1256377 | dibenzo[b,f][1,4]thiazepine)
Show SMILES S1c2ccccc2C=Nc2ccccc12 |c:8|
Show InChI InChI=1S/C13H9NS/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H
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n/an/an/an/a 9n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327658
PNG
(11H-Dibenzo[b,e]-azepine-10-carboxylic Acid Methyl...)
Show SMILES COC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:9|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-6-12-10-17-15-8-3-2-5-11(15)9-14(12)13/h2-8,10H,9H2,1H3
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n/an/an/an/a 9.80n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at 75 mV holding potential by patch-clamp electrophysiology


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50362768
PNG
(CHEMBL1939828)
Show SMILES COc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:13|
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/an/an/a 10n/an/an/an/a



Janssen Research& Development, Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibition of N-methyl-maleimide-induced current by patch clamp assay


Bioorg Med Chem Lett 22: 797-800 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.068
BindingDB Entry DOI: 10.7270/Q2736RC4
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50318515
PNG
(CHEMBL1085832 | bromo benzyl cyanide)
Show SMILES BrC(C#N)c1ccccc1
Show InChI InChI=1S/C8H6BrN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H
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n/an/an/an/a 10n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50318515
PNG
(CHEMBL1085832 | bromo benzyl cyanide)
Show SMILES BrC(C#N)c1ccccc1
Show InChI InChI=1S/C8H6BrN/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H
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n/an/an/an/a 10n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327655
PNG
(3-methoxydibenzo[b,f][1,4]oxazepine | CHEMBL125631...)
Show SMILES COc1ccc2C=Nc3ccccc3Oc2c1 |c:6|
Show InChI InChI=1S/C14H11NO2/c1-16-11-7-6-10-9-15-12-4-2-3-5-13(12)17-14(10)8-11/h2-9H,1H3
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n/an/an/an/a 14n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50318460
PNG
(CHEMBL1085104 | S-2,2,2-trichloro-1-(4-chlorobenza...)
Show SMILES CC(=O)SC(NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl
Show InChI InChI=1S/C11H9Cl4NO2S/c1-6(17)19-10(11(13,14)15)16-9(18)7-2-4-8(12)5-3-7/h2-5,10H,1H3,(H,16,18)
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n/an/an/an/a 15n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Agonist activity at TRPA1 channel in rat DRG neurons assessed as increase in intracellular calcium influx


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50036952
PNG
(CHEMBL3355293)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6](=O)-[#6]-c1ccc(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/an/an/a 16n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluori...


Bioorg Med Chem Lett 24: 5507-11 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.012
BindingDB Entry DOI: 10.7270/Q2SB47B3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50037033
PNG
(CHEMBL3355302)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-[#6](=O)-[#8]-c1ccc(cc1)C([#6])([#6])[#6]
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/an/an/a 18n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluori...


Bioorg Med Chem Lett 24: 5507-11 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.012
BindingDB Entry DOI: 10.7270/Q2SB47B3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327662
PNG
(11H-Dibenzo[b,e]azepine-3-carboxylic acid methyl e...)
Show SMILES COC(=O)c1ccc2Cc3ccccc3C=Nc2c1 |c:16|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-6-12-8-11-4-2-3-5-14(11)10-17-15(12)9-13/h2-7,9-10H,8H2,1H3
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n/an/an/an/a 19n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50350947
PNG
(CHEMBL1818218)
Show SMILES CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC2CCCOC2)CC1
Show InChI InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)
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n/an/an/an/a 23n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescenc...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327667
PNG
(CHEMBL1084637 | Dibenzo[b,f][1,4]oxazepine-4-carbo...)
Show SMILES COC(=O)c1cccc2C=Nc3ccccc3Oc12 |c:9|
Show InChI InChI=1S/C15H11NO3/c1-18-15(17)11-6-4-5-10-9-16-12-7-2-3-8-13(12)19-14(10)11/h2-9H,1H3
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n/an/an/an/a 24n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at 75 mV holding potential by patch-clamp electrophysiology


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50350949
PNG
(CHEMBL1818214)
Show SMILES Fc1cccc(F)c1C(=O)N1CCN(CC1)c1ncc(C(=O)NCc2ccccc2)c(NC2CC2)n1
Show InChI InChI=1S/C26H26F2N6O2/c27-20-7-4-8-21(28)22(20)25(36)33-11-13-34(14-12-33)26-30-16-19(23(32-26)31-18-9-10-18)24(35)29-15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,29,35)(H,30,31,32)
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n/an/an/an/a 27n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescenc...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM7873
PNG
(2-chloro-1-phenylethan-1-one | CHEMBL105712 | Halo...)
Show SMILES ClCC(=O)c1ccccc1
Show InChI InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
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n/an/an/an/a 30n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327663
PNG
(11H-dibenzo[b,e]azepine-4-carboxylic acid methyl e...)
Show SMILES COC(=O)c1cccc2Cc3ccccc3C=Nc12 |c:17|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)14-8-4-7-12-9-11-5-2-3-6-13(11)10-17-15(12)14/h2-8,10H,9H2,1H3
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n/an/an/an/a 31n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327664
PNG
(11H-Dibenzo[b,e]azepine-7-carboxylic acid methyl e...)
Show SMILES COC(=O)c1cccc2Cc3ccccc3N=Cc12 |c:17|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-6-11-9-12-5-2-3-8-15(12)17-10-14(11)13/h2-8,10H,9H2,1H3
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n/an/an/an/a 31n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327668
PNG
(8-Bromo-11H-dibenzo[b,e]azepine | CHEMBL1255819)
Show SMILES Brc1ccc2Cc3ccccc3N=Cc2c1 |c:13|
Show InChI InChI=1S/C14H10BrN/c15-13-6-5-10-7-11-3-1-2-4-14(11)16-9-12(10)8-13/h1-6,8-9H,7H2
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n/an/an/an/a 33n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as increase of intracellular calcium level by FDSS assay


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327658
PNG
(11H-Dibenzo[b,e]-azepine-10-carboxylic Acid Methyl...)
Show SMILES COC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:9|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-6-12-10-17-15-8-3-2-5-11(15)9-14(12)13/h2-8,10H,9H2,1H3
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n/an/an/an/a 38n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at -30 mV holding potential by patch-clamp electrophysiology


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50327658
PNG
(11H-Dibenzo[b,e]-azepine-10-carboxylic Acid Methyl...)
Show SMILES COC(=O)c1cccc2C=Nc3ccccc3Cc12 |c:9|
Show InChI InChI=1S/C16H13NO2/c1-19-16(18)13-7-4-6-12-10-17-15-8-3-2-5-11(15)9-14(12)13/h2-8,10H,9H2,1H3
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n/an/an/an/a 38n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells at -30 mV holding potential by patch-clamp electrophysiology


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50318514
PNG
(CHEMBL1085948 | ethyl bromo acetate)
Show SMILES CCOC(=O)CBr
Show InChI InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
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n/an/an/an/a 39n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


J Med Chem 53: 5085-107 (2010)


Article DOI: 10.1021/jm100062h
BindingDB Entry DOI: 10.7270/Q2416Z02
More data for this
Ligand-Target Pair
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