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Compile Data Set for Download or QSAR

Found 222 hits of ec50 data for polymerid = 7258   
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


(Homo sapiens (Human))
BDBM50327667
PNG
(CHEMBL1084637 | Dibenzo[b,f][1,4]oxazepine-4-carbo...)
Show SMILES COC(=O)c1cccc2C=Nc3ccccc3Oc12
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 0.0500n/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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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



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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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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PubMed
n/an/an/an/a 0.302n/an/an/an/a



Ferrara University

Curated by ChEMBL


Assay Description
Activation of human TRPA1 channel


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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 Clc1ccccc1C=C(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


Citation and Details
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
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


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


(Homo sapiens (Human))
BDBM50104730
PNG
(CHEMBL3593946)
Show SMILES Oc1ccc(CN=C=S)cc1
Show InChI InChI=1S/C8H7NOS/c10-8-3-1-7(2-4-8)5-9-6-11/h1-4,10H,5H2
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n/an/an/an/a 2n/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


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


(Homo sapiens (Human))
BDBM50104729
PNG
(CHEMBL3593947)
Show SMILES CSCCCCCN=C=S
Show InChI InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3
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n/an/an/an/a 5n/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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


Citation and Details
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
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


Citation and Details
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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...


Citation and Details
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
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


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


(Homo sapiens (Human))
BDBM50240520
PNG
((isothiocyanatomethyl)benzene | BITC, 17 | Benzyls...)
Show SMILES S=C=NCc1ccccc1
Show InChI InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
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n/an/an/an/a 25n/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay


Citation and Details
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...


Citation and Details
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


Citation and Details
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
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


Citation and Details
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
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


Citation and Details
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
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


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


(Homo sapiens (Human))
BDBM50104735
PNG
(CHEMBL3593942)
Show SMILES C=CCCN=C=S
Show InChI InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2
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n/an/an/an/a 36n/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay


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


(Homo sapiens (Human))
BDBM50240850
PNG
((2-Isothiocyanato-ethyl)-benzene | CHEMBL151649 | ...)
Show SMILES S=C=NCCc1ccccc1
Show InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
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n/an/an/an/a 37n/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay


Citation and Details
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
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


Citation and Details
More data for this
Ligand-Target Pair
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