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PubMed code 24835202

Compile data set for download or QSAR
Found 68 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


(Homo sapiens (Human))
BDBM50021820
PNG
(CHEMBL3297778)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H9FN2O/c14-9-1-3-10(4-2-9)17-13-11-5-7-15-12(11)6-8-16-13/h1-8,15H
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n/an/a 310n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021821
PNG
(CHEMBL3298760)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-13-9-3-5-16-11(9)4-6-17-13/h1-7,16H
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n/an/a 320n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021822
PNG
(CHEMBL3298322)
Show SMILES COc1cc2ccnc(Oc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C17H14FNO3/c1-20-15-9-11-7-8-19-17(14(11)10-16(15)21-2)22-13-5-3-12(18)4-6-13/h3-10H,1-2H3
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n/an/a 330n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021823
PNG
(CHEMBL3298431)
Show SMILES Fc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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n/an/a 410n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021825
PNG
(CHEMBL3297861)
Show SMILES COc1cc2ccnc(Oc3ccc(F)cc3F)c2cc1OC
Show InChI InChI=1S/C17H13F2NO3/c1-21-15-7-10-5-6-20-17(12(10)9-16(15)22-2)23-14-4-3-11(18)8-13(14)19/h3-9H,1-2H3
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n/an/a 630n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021824
PNG
(CHEMBL3298584)
Show SMILES Fc1ccc(Oc2ncnc3[nH]cc(Cl)c23)c(F)c1
Show InChI InChI=1S/C12H6ClF2N3O/c13-7-4-16-11-10(7)12(18-5-17-11)19-9-2-1-6(14)3-8(9)15/h1-5H,(H,16,17,18)
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n/an/a 630n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021826
PNG
(CHEMBL3298582)
Show SMILES Cc1c[nH]c2ncnc(Oc3ccc(F)cc3F)c12
Show InChI InChI=1S/C13H9F2N3O/c1-7-5-16-12-11(7)13(18-6-17-12)19-10-3-2-8(14)4-9(10)15/h2-6H,1H3,(H,16,17,18)
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n/an/a 650n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021827
PNG
(CHEMBL3298430)
Show SMILES Fc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C12H7F2N3O/c13-7-1-2-10(9(14)5-7)18-12-8-3-4-15-11(8)16-6-17-12/h1-6H,(H,15,16,17)
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n/an/a 710n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021829
PNG
(CHEMBL3298761)
Show SMILES Fc1ccc(Oc2nccc3ccoc23)c(F)c1
Show InChI InChI=1S/C13H7F2NO2/c14-9-1-2-11(10(15)7-9)18-13-12-8(3-5-16-13)4-6-17-12/h1-7H
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n/an/a 1.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021828
PNG
(CHEMBL3298690)
Show SMILES Fc1ccc(Oc2cccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C14H9F2NO/c15-9-4-5-14(11(16)8-9)18-13-3-1-2-12-10(13)6-7-17-12/h1-8,17H
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n/an/a 1.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50021820
PNG
(CHEMBL3297778)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H9FN2O/c14-9-1-3-10(4-2-9)17-13-11-5-7-15-12(11)6-8-16-13/h1-8,15H
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluore...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021831
PNG
(CHEMBL3297779)
Show SMILES COc1cc2ncnc(Oc3ccc(F)cc3F)c2cc1OC
Show InChI InChI=1S/C16H12F2N2O3/c1-21-14-6-10-12(7-15(14)22-2)19-8-20-16(10)23-13-4-3-9(17)5-11(13)18/h3-8H,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021830
PNG
(CHEMBL3298505)
Show SMILES Cc1cc2c(Oc3ccc(F)cc3F)ncnc2[nH]1
Show InChI InChI=1S/C13H9F2N3O/c1-7-4-9-12(18-7)16-6-17-13(9)19-11-3-2-8(14)5-10(11)15/h2-6H,1H3,(H,16,17,18)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021832
PNG
(CHEMBL3298211)
Show SMILES COc1ccc2c(Oc3ccc(F)cc3F)nccc2c1
Show InChI InChI=1S/C16H11F2NO2/c1-20-12-3-4-13-10(8-12)6-7-19-16(13)21-15-5-2-11(17)9-14(15)18/h2-9H,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021833
PNG
(CHEMBL3298583)
Show SMILES CCc1c[nH]c2ncnc(Oc3ccc(F)cc3F)c12
Show InChI InChI=1S/C14H11F2N3O/c1-2-8-6-17-13-12(8)14(19-7-18-13)20-11-4-3-9(15)5-10(11)16/h3-7H,2H2,1H3,(H,17,18,19)
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n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50021821
PNG
(CHEMBL3298760)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-13-9-3-5-16-11(9)4-6-17-13/h1-7,16H
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluore...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50021822
PNG
(CHEMBL3298322)
Show SMILES COc1cc2ccnc(Oc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C17H14FNO3/c1-20-15-9-11-7-8-19-17(14(11)10-16(15)21-2)22-13-5-3-12(18)4-6-13/h3-10H,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluore...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50021822
PNG
(CHEMBL3298322)
Show SMILES COc1cc2ccnc(Oc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C17H14FNO3/c1-20-15-9-11-7-8-19-17(14(11)10-16(15)21-2)22-13-5-3-12(18)4-6-13/h3-10H,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50021822
PNG
(CHEMBL3298322)
Show SMILES COc1cc2ccnc(Oc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C17H14FNO3/c1-20-15-9-11-7-8-19-17(14(11)10-16(15)21-2)22-13-5-3-12(18)4-6-13/h3-10H,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50021822
PNG
(CHEMBL3298322)
Show SMILES COc1cc2ccnc(Oc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C17H14FNO3/c1-20-15-9-11-7-8-19-17(14(11)10-16(15)21-2)22-13-5-3-12(18)4-6-13/h3-10H,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50021822
PNG
(CHEMBL3298322)
Show SMILES COc1cc2ccnc(Oc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C17H14FNO3/c1-20-15-9-11-7-8-19-17(14(11)10-16(15)21-2)22-13-5-3-12(18)4-6-13/h3-10H,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50021822
PNG
(CHEMBL3298322)
Show SMILES COc1cc2ccnc(Oc3ccc(F)cc3)c2cc1OC
Show InChI InChI=1S/C17H14FNO3/c1-20-15-9-11-7-8-19-17(14(11)10-16(15)21-2)22-13-5-3-12(18)4-6-13/h3-10H,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021834
PNG
(CHEMBL3298581)
Show SMILES Cc1[nH]c2ncnc(Oc3ccc(F)cc3F)c2c1C
Show InChI InChI=1S/C14H11F2N3O/c1-7-8(2)19-13-12(7)14(18-6-17-13)20-11-4-3-9(15)5-10(11)16/h3-6H,1-2H3,(H,17,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021835
PNG
(CHEMBL3297777)
Show SMILES Fc1ccc(Oc2nccc3occc23)c(F)c1
Show InChI InChI=1S/C13H7F2NO2/c14-8-1-2-12(10(15)7-8)18-13-9-4-6-17-11(9)3-5-16-13/h1-7H
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n/an/a 2.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021836
PNG
(CHEMBL3298585)
Show SMILES Fc1ccc(Oc2ncnc3[nH]cc(I)c23)c(F)c1
Show InChI InChI=1S/C12H6F2IN3O/c13-6-1-2-9(7(14)3-6)19-12-10-8(15)4-16-11(10)17-5-18-12/h1-5H,(H,16,17,18)
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n/an/a 2.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021837
PNG
(CHEMBL3298499)
Show SMILES Fc1cccc(Oc2ncnc3[nH]ccc23)c1F
Show InChI InChI=1S/C12H7F2N3O/c13-8-2-1-3-9(10(8)14)18-12-7-4-5-15-11(7)16-6-17-12/h1-6H,(H,15,16,17)
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n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50021823
PNG
(CHEMBL3298431)
Show SMILES Fc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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n/an/a 3.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluore...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021839
PNG
(CHEMBL3297780)
Show SMILES COc1ccc2c(Oc3ccc(F)cc3F)ncnc2c1
Show InChI InChI=1S/C15H10F2N2O2/c1-20-10-3-4-11-13(7-10)18-8-19-15(11)21-14-5-2-9(16)6-12(14)17/h2-8H,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021838
PNG
(CHEMBL3298500)
Show SMILES Fc1ccc(Oc2ncnc3[nH]ccc23)cc1F
Show InChI InChI=1S/C12H7F2N3O/c13-9-2-1-7(5-10(9)14)18-12-8-3-4-15-11(8)16-6-17-12/h1-6H,(H,15,16,17)
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n/an/a 3.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021840
PNG
(CHEMBL3298212)
Show SMILES Fc1ccc(Oc2nccc3ccccc23)c(F)c1
Show InChI InChI=1S/C15H9F2NO/c16-11-5-6-14(13(17)9-11)19-15-12-4-2-1-3-10(12)7-8-18-15/h1-9H
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n/an/a 3.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021841
PNG
(CHEMBL3298432)
Show SMILES O(c1ccccc1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H9N3O/c1-2-4-9(5-3-1)16-12-10-6-7-13-11(10)14-8-15-12/h1-8H,(H,13,14,15)
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n/an/a 3.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50021821
PNG
(CHEMBL3298760)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-13-9-3-5-16-11(9)4-6-17-13/h1-7,16H
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50021823
PNG
(CHEMBL3298431)
Show SMILES Fc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50021821
PNG
(CHEMBL3298760)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-13-9-3-5-16-11(9)4-6-17-13/h1-7,16H
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50021823
PNG
(CHEMBL3298431)
Show SMILES Fc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50021823
PNG
(CHEMBL3298431)
Show SMILES Fc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50021823
PNG
(CHEMBL3298431)
Show SMILES Fc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50021820
PNG
(CHEMBL3297778)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H9FN2O/c14-9-1-3-10(4-2-9)17-13-11-5-7-15-12(11)6-8-16-13/h1-8,15H
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50021821
PNG
(CHEMBL3298760)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-13-9-3-5-16-11(9)4-6-17-13/h1-7,16H
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50021821
PNG
(CHEMBL3298760)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-13-9-3-5-16-11(9)4-6-17-13/h1-7,16H
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50021823
PNG
(CHEMBL3298431)
Show SMILES Fc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50021820
PNG
(CHEMBL3297778)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H9FN2O/c14-9-1-3-10(4-2-9)17-13-11-5-7-15-12(11)6-8-16-13/h1-8,15H
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50021821
PNG
(CHEMBL3298760)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-13-9-3-5-16-11(9)4-6-17-13/h1-7,16H
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50021821
PNG
(CHEMBL3298760)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-13-9-3-5-16-11(9)4-6-17-13/h1-7,16H
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n/an/a>2.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50021820
PNG
(CHEMBL3297778)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H9FN2O/c14-9-1-3-10(4-2-9)17-13-11-5-7-15-12(11)6-8-16-13/h1-8,15H
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50021820
PNG
(CHEMBL3297778)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H9FN2O/c14-9-1-3-10(4-2-9)17-13-11-5-7-15-12(11)6-8-16-13/h1-8,15H
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50021820
PNG
(CHEMBL3297778)
Show SMILES Fc1ccc(Oc2nccc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H9FN2O/c14-9-1-3-10(4-2-9)17-13-11-5-7-15-12(11)6-8-16-13/h1-8,15H
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50021823
PNG
(CHEMBL3298431)
Show SMILES Fc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8FN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS/competitive screening assay


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021860
PNG
(CHEMBL3297753)
Show SMILES Fc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C13H8F2N2O/c14-8-1-2-12(10(15)7-8)18-11-4-6-17-13-9(11)3-5-16-13/h1-7H,(H,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021846
PNG
(CHEMBL3298496)
Show SMILES N#Cc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H8N4O/c14-7-9-1-3-10(4-2-9)18-13-11-5-6-15-12(11)16-8-17-13/h1-6,8H,(H,15,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021863
PNG
(CHEMBL3298323)
Show SMILES Fc1cc(F)c(Oc2ncnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C12H6F3N3O/c13-6-3-8(14)10(9(15)4-6)19-12-7-1-2-16-11(7)17-5-18-12/h1-5H,(H,16,17,18)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021856
PNG
(CHEMBL3298587)
Show SMILES Cn1ccc2c(Oc3ccc(F)cc3F)ncnc12
Show InChI InChI=1S/C13H9F2N3O/c1-18-5-4-9-12(18)16-7-17-13(9)19-11-3-2-8(14)6-10(11)15/h2-7H,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021858
PNG
(CHEMBL3298688)
Show SMILES Fc1ccc(Oc2ncnc3ccoc23)c(F)c1
Show InChI InChI=1S/C12H6F2N2O2/c13-7-1-2-10(8(14)5-7)18-12-11-9(3-4-17-11)15-6-16-12/h1-6H
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021849
PNG
(CHEMBL3298498)
Show SMILES COc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H11N3O2/c1-17-9-2-4-10(5-3-9)18-13-11-6-7-14-12(11)15-8-16-13/h2-8H,1H3,(H,14,15,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021845
PNG
(CHEMBL3298495)
Show SMILES Clc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8ClN3O/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021842
PNG
(CHEMBL3298433)
Show SMILES Cc1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H11N3O/c1-9-2-4-10(5-3-9)17-13-11-6-7-14-12(11)15-8-16-13/h2-8H,1H3,(H,14,15,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021844
PNG
(CHEMBL3298435)
Show SMILES Cc1ccc(Oc2ncnc3[nH]ccc23)c(C)c1
Show InChI InChI=1S/C14H13N3O/c1-9-3-4-12(10(2)7-9)18-14-11-5-6-15-13(11)16-8-17-14/h3-8H,1-2H3,(H,15,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021861
PNG
(CHEMBL3297859)
Show SMILES COc1ccc2ncnc(Oc3ccc(F)cc3F)c2c1
Show InChI InChI=1S/C15H10F2N2O2/c1-20-10-3-4-13-11(7-10)15(19-8-18-13)21-14-5-2-9(16)6-12(14)17/h2-8H,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021852
PNG
(CHEMBL3298502)
Show SMILES Fc1cccc(Oc2ncnc3[nH]ccc23)c1
Show InChI InChI=1S/C12H8FN3O/c13-8-2-1-3-9(6-8)17-12-10-4-5-14-11(10)15-7-16-12/h1-7H,(H,14,15,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021853
PNG
(CHEMBL3298503)
Show SMILES Fc1ccc(Nc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H9FN4/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H2,14,15,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021843
PNG
(CHEMBL3298434)
Show SMILES Cc1ccccc1Oc1ncnc2[nH]ccc12
Show InChI InChI=1S/C13H11N3O/c1-9-4-2-3-5-11(9)17-13-10-6-7-14-12(10)15-8-16-13/h2-8H,1H3,(H,14,15,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021848
PNG
(CHEMBL3298497)
Show SMILES [O-][N+](=O)c1ccc(Oc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C12H8N4O3/c17-16(18)8-1-3-9(4-2-8)19-12-10-5-6-13-11(10)14-7-15-12/h1-7H,(H,13,14,15)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021854
PNG
(CHEMBL3298504)
Show SMILES Fc1ccc(Cc2ncnc3[nH]ccc23)cc1
Show InChI InChI=1S/C13H10FN3/c14-10-3-1-9(2-4-10)7-12-11-5-6-15-13(11)17-8-16-12/h1-6,8H,7H2,(H,15,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021857
PNG
(CHEMBL3298687)
Show SMILES Fc1ccc(Oc2ncnc3cc[nH]c23)c(F)c1
Show InChI InChI=1S/C12H7F2N3O/c13-7-1-2-10(8(14)5-7)18-12-11-9(3-4-15-11)16-6-17-12/h1-6,15H
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021859
PNG
(CHEMBL3298689)
Show SMILES Fc1ccc(Oc2ncnc3occc23)c(F)c1
Show InChI InChI=1S/C12H6F2N2O2/c13-7-1-2-10(9(14)5-7)18-12-8-3-4-17-11(8)15-6-16-12/h1-6H
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021862
PNG
(CHEMBL3297860)
Show SMILES Fc1ccc(Oc2ncnc3ccccc23)c(F)c1
Show InChI InChI=1S/C14H8F2N2O/c15-9-5-6-13(11(16)7-9)19-14-10-3-1-2-4-12(10)17-8-18-14/h1-8H
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021851
PNG
(CHEMBL3298501)
Show SMILES Fc1ccccc1Oc1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H8FN3O/c13-9-3-1-2-4-10(9)17-12-8-5-6-14-11(8)15-7-16-12/h1-7H,(H,14,15,16)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50021855
PNG
(CHEMBL3298586)
Show SMILES Fc1ccc(Oc2ccncn2)c(F)c1
Show InChI InChI=1S/C10H6F2N2O/c11-7-1-2-9(8(12)5-7)15-10-3-4-13-6-14-10/h1-6H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo...


Bioorg Med Chem Lett 24: 3199-203 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%