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PubMed code 22222037

Compile data set for download or QSAR
Found 77 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus)		BDBM50362745
PNG
(CHEMBL1939822)
Show SMILES COc1cccc(c1)C1NC(=S)N(C)C2=C1C(=O)c1ccccc21 |c:15|
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 ...

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


(Rattus norvegicus)		BDBM50362741
PNG
(CHEMBL1939826)
Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17|
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 ...

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


(Rattus norvegicus)		BDBM50362764
PNG
(CHEMBL1939833)
Show SMILES OCCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:17|
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 ...

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


(Rattus norvegicus)		BDBM50362741
PNG
(CHEMBL1939826)
Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17|
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 ...

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


(Rattus norvegicus)		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/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 ...

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))		BDBM50362741
PNG
(CHEMBL1939826)
Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17|
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 13n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362753
PNG
(CHEMBL1939978)
Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |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)
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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 ...

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


(Rattus norvegicus)		BDBM50362757
PNG
(CHEMBL1939977)
Show SMILES OCc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
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 ...

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


(Rattus norvegicus)		BDBM50362763
PNG
(CHEMBL1939832)
Show SMILES OCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15|
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 ...

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))		BDBM50362741
PNG
(CHEMBL1939826)
Show SMILES COCCCOc1cccc(c1)[C@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17|
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 50n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362762
PNG
(CHEMBL1939836)
Show SMILES CCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:16|
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 ...

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))		BDBM50362764
PNG
(CHEMBL1939833)
Show SMILES OCCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:17|
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 70n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362755
PNG
(CHEMBL1939980)
Show SMILES Brc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
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 ...

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))		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/a 75n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362745
PNG
(CHEMBL1939822)
Show SMILES COc1cccc(c1)C1NC(=S)N(C)C2=C1C(=O)c1ccccc21 |c:15|
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 85n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362753
PNG
(CHEMBL1939978)
Show SMILES COc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |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)
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n/an/a 130n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362767
PNG
(CHEMBL1939831)
Show SMILES COc1ccc(Oc2cccc(c2)C2NC(=S)N=C3C2C(=O)c2ccccc32)cc1 |c:18|
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 ...

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))		BDBM50362763
PNG
(CHEMBL1939832)
Show SMILES OCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15|
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 210n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362756
PNG
(CHEMBL1939976)
Show SMILES Oc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
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 ...

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))		BDBM50362762
PNG
(CHEMBL1939836)
Show SMILES CCCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:16|
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 310n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362748
PNG
(CHEMBL1939984)
Show SMILES O=C1C2[C@H](NC(=S)N=C2c2ccccc12)c1ccccc1 |r,c:7|
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 ...

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


(Rattus norvegicus)		BDBM50362751
PNG
(CHEMBL1939982)
Show SMILES Fc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
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 ...

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))		BDBM50362755
PNG
(CHEMBL1939980)
Show SMILES Brc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
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 500n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362743
PNG
(CHEMBL1939823)
Show SMILES COCCCOc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21 |c:17|
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 ...

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))		BDBM50362756
PNG
(CHEMBL1939976)
Show SMILES Oc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
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 640n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362757
PNG
(CHEMBL1939977)
Show SMILES OCc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
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 710n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362748
PNG
(CHEMBL1939984)
Show SMILES O=C1C2[C@H](NC(=S)N=C2c2ccccc12)c1ccccc1 |r,c:7|
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 770n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362761
PNG
(CHEMBL1939835)
Show SMILES COc1cc(OC)cc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15|
Show InChI InChI=1S/C19H16N2O3S/c1-23-11-7-10(8-12(9-11)24-2)16-15-17(21-19(25)20-16)13-5-3-4-6-14(13)18(15)22/h3-9,15-16H,1-2H3,(H,20,25)
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n/an/a 800n/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 ...

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


(Rattus norvegicus)		BDBM50362744
PNG
(CHEMBL1939824)
Show SMILES COc1cccc(c1)C1C2C(=O)c3ccccc3C2=NC(=S)N1C |c:21|
Show InChI InChI=1S/C19H16N2O2S/c1-21-17(11-6-5-7-12(10-11)23-2)15-16(20-19(21)24)13-8-3-4-9-14(13)18(15)22/h3-10,15,17H,1-2H3
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n/an/a 980n/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 ...

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))		BDBM50362751
PNG
(CHEMBL1939982)
Show SMILES Fc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
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 1.10E+3n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362767
PNG
(CHEMBL1939831)
Show SMILES COc1ccc(Oc2cccc(c2)C2NC(=S)N=C3C2C(=O)c2ccccc32)cc1 |c:18|
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 1.50E+3n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362743
PNG
(CHEMBL1939823)
Show SMILES COCCCOc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21 |c:17|
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 1.70E+3n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362746
PNG
(CHEMBL1939990)
Show SMILES O=C1C2C(NC(=S)N=C2c2ccccc12)c1ccccc1 |c:7|
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)
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n/an/a 1.80E+3n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362746
PNG
(CHEMBL1939990)
Show SMILES O=C1C2C(NC(=S)N=C2c2ccccc12)c1ccccc1 |c:7|
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)
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n/an/a 1.90E+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 ...

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))		BDBM50362750
PNG
(CHEMBL1939981)
Show SMILES Fc1ccccc1C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
Show InChI InChI=1S/C17H11FN2OS/c18-12-8-4-3-7-11(12)15-13-14(19-17(22)20-15)9-5-1-2-6-10(9)16(13)21/h1-8,13,15H,(H,20,22)
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n/an/a 2.07E+3n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362759
PNG
(CHEMBL1939974)
Show SMILES COc1cccc(C2NC(=S)N=C3C2C(=O)c2ccccc32)c1OC |c:11|
Show InChI InChI=1S/C19H16N2O3S/c1-23-13-9-5-8-12(18(13)24-2)16-14-15(20-19(25)21-16)10-6-3-4-7-11(10)17(14)22/h3-9,14,16H,1-2H3,(H,21,25)
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n/an/a 2.70E+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 ...

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))		BDBM50362761
PNG
(CHEMBL1939835)
Show SMILES COc1cc(OC)cc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15|
Show InChI InChI=1S/C19H16N2O3S/c1-23-11-7-10(8-12(9-11)24-2)16-15-17(21-19(25)20-16)13-5-3-4-6-14(13)18(15)22/h3-9,15-16H,1-2H3,(H,20,25)
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n/an/a 2.78E+3n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362754
PNG
(CHEMBL1939979)
Show SMILES COc1ccc(cc1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O2S/c1-22-11-8-6-10(7-9-11)15-14-16(20-18(23)19-15)12-4-2-3-5-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)
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n/an/a 3.10E+3n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362750
PNG
(CHEMBL1939981)
Show SMILES Fc1ccccc1C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:12|
Show InChI InChI=1S/C17H11FN2OS/c18-12-8-4-3-7-11(12)15-13-14(19-17(22)20-15)9-5-1-2-6-10(9)16(13)21/h1-8,13,15H,(H,20,22)
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n/an/a 3.39E+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 ...

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


(Rattus norvegicus)		BDBM50362754
PNG
(CHEMBL1939979)
Show SMILES COc1ccc(cc1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O2S/c1-22-11-8-6-10(7-9-11)15-14-16(20-18(23)19-15)12-4-2-3-5-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,23)
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n/an/a 3.50E+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 ...

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))		BDBM50362740
PNG
(CHEMBL1939825)
Show SMILES COc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O3/c1-23-11-6-4-5-10(9-11)15-14-16(20-18(22)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,22)
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n/an/a 3.90E+3n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362740
PNG
(CHEMBL1939825)
Show SMILES COc1cccc(c1)C1NC(=O)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O3/c1-23-11-6-4-5-10(9-11)15-14-16(20-18(22)19-15)12-7-2-3-8-13(12)17(14)21/h2-9,14-15H,1H3,(H,19,22)
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n/an/a 4.70E+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 ...

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


(Rattus norvegicus)		BDBM50318463
PNG
(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...)
Show SMILES CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1
Show InChI InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)
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n/an/a 5.60E+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 ...

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))		BDBM50362749
PNG
(CHEMBL1939985)
Show SMILES O=C1C2[C@@H](NC(=S)N=C2c2ccccc12)c1ccccc1 |r,c:7|
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-/m0/s1
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n/an/a 8.10E+3n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362765
PNG
(CHEMBL1939834)
Show SMILES CN(C)CCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:17|
Show InChI InChI=1S/C21H21N3O2S/c1-24(2)10-11-26-14-7-5-6-13(12-14)18-17-19(23-21(27)22-18)15-8-3-4-9-16(15)20(17)25/h3-9,12,17-18H,10-11H2,1-2H3,(H,22,27)
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n/an/a 8.90E+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 ...

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


(Rattus norvegicus)		BDBM50362752
PNG
(CHEMBL1939983)
Show SMILES COc1ccccc1C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O2S/c1-22-13-9-5-4-8-12(13)16-14-15(19-18(23)20-16)10-6-2-3-7-11(10)17(14)21/h2-9,14,16H,1H3,(H,20,23)
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n/an/a 9.40E+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 ...

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


(Rattus norvegicus)		BDBM50362747
PNG
(CHEMBL1939991)
Show SMILES CCOC(=O)C1C(NC(=S)N=C1c1ccccc1)c1cccc(OC)c1 |c:10|
Show InChI InChI=1S/C20H20N2O3S/c1-3-25-19(23)16-17(13-8-5-4-6-9-13)21-20(26)22-18(16)14-10-7-11-15(12-14)24-2/h4-12,16,18H,3H2,1-2H3,(H,22,26)
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n/an/a 9.50E+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 ...

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))		BDBM50362775
PNG
(CHEMBL1939986)
Show SMILES S=C1NC(C2CCCCC2=N1)c1ccccc1 |c:10|
Show InChI InChI=1S/C14H16N2S/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-3,6-7,11,13H,4-5,8-9H2,(H,16,17)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM42701
PNG
(4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,...)
Show SMILES O=C1C2C(NC(=O)N=C2c2ccccc12)c1ccccc1 |c:7|
Show InChI InChI=1S/C17H12N2O2/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)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362760
PNG
(CHEMBL1939975)
Show SMILES COc1ccc(OC)c(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15|
Show InChI InChI=1S/C19H16N2O3S/c1-23-10-7-8-14(24-2)13(9-10)17-15-16(20-19(25)21-17)11-5-3-4-6-12(11)18(15)22/h3-9,15,17H,1-2H3,(H,21,25)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362752
PNG
(CHEMBL1939983)
Show SMILES COc1ccccc1C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:13|
Show InChI InChI=1S/C18H14N2O2S/c1-22-13-9-5-4-8-12(13)16-14-15(19-18(23)20-16)10-6-2-3-7-11(10)17(14)21/h2-9,14,16H,1H3,(H,20,23)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362772
PNG
(CHEMBL1939988)
Show SMILES S=C1NC(C2CCc3ccccc3C2=N1)c1ccccc1 |c:15|
Show InChI InChI=1S/C18H16N2S/c21-18-19-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)20-18/h1-9,15-16H,10-11H2,(H,19,21)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362749
PNG
(CHEMBL1939985)
Show SMILES O=C1C2[C@@H](NC(=S)N=C2c2ccccc12)c1ccccc1 |r,c:7|
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-/m0/s1
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n/an/a>1.00E+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 ...

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


(Rattus norvegicus)		BDBM50362742
PNG
(CHEMBL1939827)
Show SMILES COCCCOc1cccc(c1)[C@@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17|
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-/m0/s1
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n/an/a>1.00E+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 ...

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


(Rattus norvegicus)		BDBM50362760
PNG
(CHEMBL1939975)
Show SMILES COc1ccc(OC)c(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:15|
Show InChI InChI=1S/C19H16N2O3S/c1-23-10-7-8-14(24-2)13(9-10)17-15-16(20-19(25)21-17)11-5-3-4-6-12(11)18(15)22/h3-9,15,17H,1-2H3,(H,21,25)
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n/an/a>1.00E+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 ...

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))		BDBM50362747
PNG
(CHEMBL1939991)
Show SMILES CCOC(=O)C1C(NC(=S)N=C1c1ccccc1)c1cccc(OC)c1 |c:10|
Show InChI InChI=1S/C20H20N2O3S/c1-3-25-19(23)16-17(13-8-5-4-6-9-13)21-20(26)22-18(16)14-10-7-11-15(12-14)24-2/h4-12,16,18H,3H2,1-2H3,(H,22,26)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362759
PNG
(CHEMBL1939974)
Show SMILES COc1cccc(C2NC(=S)N=C3C2C(=O)c2ccccc32)c1OC |c:11|
Show InChI InChI=1S/C19H16N2O3S/c1-23-13-9-5-8-12(18(13)24-2)16-14-15(20-19(25)21-16)10-6-3-4-7-11(10)17(14)22/h3-9,14,16H,1-2H3,(H,21,25)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362765
PNG
(CHEMBL1939834)
Show SMILES CN(C)CCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:17|
Show InChI InChI=1S/C21H21N3O2S/c1-24(2)10-11-26-14-7-5-6-13(12-14)18-17-19(23-21(27)22-18)15-8-3-4-9-16(15)20(17)25/h3-9,12,17-18H,10-11H2,1-2H3,(H,22,27)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362758
PNG
(CHEMBL1939973)
Show SMILES OC(=O)c1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:14|
Show InChI InChI=1S/C18H12N2O3S/c21-16-12-7-2-1-6-11(12)15-13(16)14(19-18(24)20-15)9-4-3-5-10(8-9)17(22)23/h1-8,13-14H,(H,19,24)(H,22,23)
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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 ...

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))		BDBM50318463
PNG
(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6...)
Show SMILES CC(C)c1ccc(NC(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)cc1
Show InChI InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362769
PNG
(CHEMBL1939829)
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-/m0/s1
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n/an/a>1.00E+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 ...

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))		BDBM50362776
PNG
(CHEMBL1364775)
Show SMILES O=C1CCCC2=NC(=S)NC(C12)c1ccccc1 |t:5|
Show InChI InChI=1S/C14H14N2OS/c17-11-8-4-7-10-12(11)13(16-14(18)15-10)9-5-2-1-3-6-9/h1-3,5-6,12-13H,4,7-8H2,(H,16,18)
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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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362770
PNG
(CHEMBL1388908)
Show SMILES S=C(NCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C15H16N2S/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362773
PNG
(CHEMBL1469047)
Show SMILES S=C1NC(C2CCCC(=Cc3ccccc3)C2=N1)c1ccccc1 |w:9.9,c:18|
Show InChI InChI=1S/C21H20N2S/c24-21-22-19(16-10-5-2-6-11-16)18-13-7-12-17(20(18)23-21)14-15-8-3-1-4-9-15/h1-6,8-11,14,18-19H,7,12-13H2,(H,22,24)
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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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362769
PNG
(CHEMBL1939829)
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-/m0/s1
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362777
PNG
(CHEMBL1939987)
Show SMILES CC1=NC(=S)NC(C1C(=O)c1ccccc1)c1ccccc1 |t:1|
Show InChI InChI=1S/C18H16N2OS/c1-12-15(17(21)14-10-6-3-7-11-14)16(20-18(22)19-12)13-8-4-2-5-9-13/h2-11,15-16H,1H3,(H,20,22)
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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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		BDBM50362766
PNG
(CHEMBL1939830)
Show SMILES CN(C)CCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:18|
Show InChI InChI=1S/C22H23N3O2S/c1-25(2)11-6-12-27-15-8-5-7-14(13-15)19-18-20(24-22(28)23-19)16-9-3-4-10-17(16)21(18)26/h3-5,7-10,13,18-19H,6,11-12H2,1-2H3,(H,23,28)
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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 ...

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


(Rattus norvegicus)		BDBM42701
PNG
(4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,...)
Show SMILES O=C1C2C(NC(=O)N=C2c2ccccc12)c1ccccc1 |c:7|
Show InChI InChI=1S/C17H12N2O2/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)
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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 ...

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))		BDBM50362742
PNG
(CHEMBL1939827)
Show SMILES COCCCOc1cccc(c1)[C@@H]1NC(=S)N=C2C1C(=O)c1ccccc21 |r,c:17|
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-/m0/s1
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362766
PNG
(CHEMBL1939830)
Show SMILES CN(C)CCCOc1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:18|
Show InChI InChI=1S/C22H23N3O2S/c1-25(2)11-6-12-27-15-8-5-7-14(13-15)19-18-20(24-22(28)23-19)16-9-3-4-10-17(16)21(18)26/h3-5,7-10,13,18-19H,6,11-12H2,1-2H3,(H,23,28)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362774
PNG
(CHEMBL1939989)
Show SMILES S=C1NC(C2CCCC2=N1)c1ccccc1 |c:9|
Show InChI InChI=1S/C13H14N2S/c16-13-14-11-8-4-7-10(11)12(15-13)9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,15,16)
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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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362744
PNG
(CHEMBL1939824)
Show SMILES COc1cccc(c1)C1C2C(=O)c3ccccc3C2=NC(=S)N1C |c:21|
Show InChI InChI=1S/C19H16N2O2S/c1-21-17(11-6-5-7-12(10-11)23-2)15-16(20-19(21)24)13-8-3-4-9-14(13)18(15)22/h3-10,15,17H,1-2H3
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362771
PNG
(CHEMBL1492420)
Show SMILES S=C1NC(CC(=N1)c1ccccc1)c1ccccc1 |c:5|
Show InChI InChI=1S/C16H14N2S/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,19)
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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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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))		BDBM50362758
PNG
(CHEMBL1939973)
Show SMILES OC(=O)c1cccc(c1)C1NC(=S)N=C2C1C(=O)c1ccccc21 |c:14|
Show InChI InChI=1S/C18H12N2O3S/c21-16-12-7-2-1-6-11(12)15-13(16)14(19-18(24)20-15)9-4-3-5-10(8-9)17(22)23/h1-8,13-14H,(H,19,24)(H,22,23)
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n/an/a>1.00E+4n/an/an/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 5H-dibenzo[b,e]azepine-10-carboxylic acid methyl ester-induced...

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


(Rattus norvegicus)		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 220n/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 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))		BDBM50362769
PNG
(CHEMBL1939829)
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-/m0/s1
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n/an/an/an/a 1.20E+4n/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))		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
* indicates data uncertainty>20%