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Patent code US9186360

Compile Data Set for Download or QSAR

Found 490 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))		BDBM191653
PNG
(US9186360, 57)
Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H15Cl2F3N4O5S/c1-29-17(32)15-10(6-34-18(15)30(2)20(29)33)5-14(31)28-19-27-13(7-36-19)9-3-11(22)16(12(23)4-9)35-8-21(24,25)26/h3-4,6-7H,5,8H2,1-2H3,(H,27,28,31)
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n/an/a 1.45n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM60874
PNG
(US9186360, 62)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(F)(F)F)c(F)c1
Show InChI InChI=1S/C22H17F5N4O5S/c1-9-11(16-18(33)30(2)21(34)31(3)19(16)36-9)6-15(32)29-20-28-14(7-37-20)10-4-12(23)17(13(24)5-10)35-8-22(25,26)27/h4-5,7H,6,8H2,1-3H3,(H,28,29,32)
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n/an/a 1.68n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191709
PNG
(US9186360, 55)
Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H14F4N4O4S/c1-27-16(30)15-10(7-32-17(15)28(2)19(27)31)5-14(29)26-18-25-13(8-33-18)9-3-11(20(22,23)24)6-12(21)4-9/h3-4,6-8H,5H2,1-2H3,(H,25,26,29)
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n/an/a 2.15n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191712
PNG
(US9186360, 59)
Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cccc(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H14F4N4O4S/c1-27-16(30)14-9(7-32-17(14)28(2)19(27)31)6-13(29)26-18-25-12(8-33-18)10-4-3-5-11(15(10)21)20(22,23)24/h3-5,7-8H,6H2,1-2H3,(H,25,26,29)
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n/an/a 2.21n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191652
PNG
(US9186360, 51 | US9186360, 52)
Show SMILES Cn1c2scc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H13F5N4O3S2/c1-28-16(31)13-8(6-33-17(13)29(2)19(28)32)5-12(30)27-18-26-11(7-34-18)9-3-4-10(21)14(15(9)22)20(23,24)25/h3-4,6-7H,5H2,1-2H3,(H,26,27,30)
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n/an/a 2.49n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191713
PNG
(US9186360, 61)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O4S/c1-9-13(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-14(8-34-19)10-4-11(21(23,24)25)6-12(22)5-10/h4-6,8H,7H2,1-3H3,(H,26,27,30)
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n/an/a 2.93n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191722
PNG
(US9186360, 71)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16ClF3N4O4S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-14(8-34-19)10-4-5-13(22)12(6-10)21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)
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n/an/a 3.18n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191656
PNG
(US9186360, 75)
Show SMILES CC(C)COc1c(Cl)cc(cc1Cl)-c1csc(NC(=O)Cc2c(C)oc3n(C)c(=O)n(C)c(=O)c23)n1
Show InChI InChI=1S/C24H24Cl2N4O5S/c1-11(2)9-34-20-15(25)6-13(7-16(20)26)17-10-36-23(27-17)28-18(31)8-14-12(3)35-22-19(14)21(32)29(4)24(33)30(22)5/h6-7,10-11H,8-9H2,1-5H3,(H,27,28,31)
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n/an/a 3.34n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191710
PNG
(US9186360, 56)
Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(F)c(CCC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H17F5N4O4S/c1-30-18(33)17-11(8-35-19(17)31(2)21(30)34)7-16(32)29-20-28-15(9-36-20)10-5-13(23)12(14(24)6-10)3-4-22(25,26)27/h5-6,8-9H,3-4,7H2,1-2H3,(H,28,29,32)
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n/an/a 3.38n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191654
PNG
(US9186360, 60)
Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H15ClF4N4O5S/c1-29-17(32)15-10(6-34-18(15)30(2)20(29)33)5-14(31)28-19-27-13(7-36-19)9-3-11(22)16(12(23)4-9)35-8-21(24,25)26/h3-4,6-7H,5,8H2,1-2H3,(H,27,28,31)
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n/an/a 3.54n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191655
PNG
(US9186360, 62 | US9186360, 66)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(C)(C)C)c(F)c1
Show InChI InChI=1S/C25H26F2N4O5S/c1-12-14(19-21(33)30(5)24(34)31(6)22(19)36-12)9-18(32)29-23-28-17(10-37-23)13-7-15(26)20(16(27)8-13)35-11-25(2,3)4/h7-8,10H,9,11H2,1-6H3,(H,28,29,32)
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n/an/a 3.63n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191705
PNG
(US9186360, 49)
Show SMILES CCc1sc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(F)(F)F)c(F)c1
Show InChI InChI=1S/C23H19F5N4O4S2/c1-4-15-11(17-19(34)31(2)22(35)32(3)20(17)38-15)7-16(33)30-21-29-14(8-37-21)10-5-12(24)18(13(25)6-10)36-9-23(26,27)28/h5-6,8H,4,7,9H2,1-3H3,(H,29,30,33)
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n/an/a 3.98n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191725
PNG
(US9186360, 76)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(c(F)c1F)C(F)(F)F
Show InChI InChI=1S/C21H15F5N4O4S/c1-8-10(14-17(32)29(2)20(33)30(3)18(14)34-8)6-13(31)28-19-27-12(7-35-19)9-4-5-11(21(24,25)26)16(23)15(9)22/h4-5,7H,6H2,1-3H3,(H,27,28,31)
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n/an/a 4.02n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191723
PNG
(US9186360, 72)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H15F5N4O4S/c1-8-10(15-17(32)29(2)20(33)30(3)18(15)34-8)6-14(31)28-19-27-13(7-35-19)9-4-11(22)16(12(23)5-9)21(24,25)26/h4-5,7H,6H2,1-3H3,(H,27,28,31)
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n/an/a 4.16n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191731
PNG
(US9186360, 83)
Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H13F4N5O3S2/c1-27-15(30)14-11(26-33-16(14)28(2)18(27)31)6-13(29)25-17-24-12(7-32-17)8-3-9(19(21,22)23)5-10(20)4-8/h3-5,7H,6H2,1-2H3,(H,24,25,29)
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n/an/a 4.40n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191715
PNG
(US9186360, 64)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(F)c(c1F)C(F)(F)F
Show InChI InChI=1S/C21H15F5N4O4S/c1-8-10(14-17(32)29(2)20(33)30(3)18(14)34-8)6-13(31)28-19-27-12(7-35-19)9-4-5-11(22)15(16(9)23)21(24,25)26/h4-5,7H,6H2,1-3H3,(H,27,28,31)
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n/an/a 4.52n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191652
PNG
(US9186360, 51 | US9186360, 52)
Show SMILES Cn1c2scc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H13F5N4O3S2/c1-28-16(31)13-8(6-33-17(13)29(2)19(28)32)5-12(30)27-18-26-11(7-34-18)9-3-4-10(21)14(15(9)22)20(23,24)25/h3-4,6-7H,5H2,1-2H3,(H,26,27,30)
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n/an/a 4.84n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191719
PNG
(US9186360, 68)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(F)c(OC(F)(F)F)c1
Show InChI InChI=1S/C21H16F4N4O5S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-13(8-35-19)10-4-5-12(22)14(6-10)34-21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)
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n/an/a 4.84n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191740
PNG
(US9186360, 99)
Show SMILES Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H13ClF4N4O4S/c1-28-16(31)14-9(15(21)33-17(14)29(2)19(28)32)6-13(30)27-18-26-12(7-34-18)8-3-4-10(11(22)5-8)20(23,24)25/h3-5,7H,6H2,1-2H3,(H,26,27,30)
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n/an/a 5.06n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191741
PNG
(US9186360, 100)
Show SMILES Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H13ClF4N4O4S/c1-28-16(31)14-11(15(21)33-17(14)29(2)19(28)32)6-13(30)27-18-26-12(7-34-18)8-3-9(20(23,24)25)5-10(22)4-8/h3-5,7H,6H2,1-2H3,(H,26,27,30)
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n/an/a 5.15n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191728
PNG
(US9186360, 79)
Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3cccc(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H13F4N5O3S2/c1-27-15(30)13-10(26-33-16(13)28(2)18(27)31)6-12(29)25-17-24-11(7-32-17)8-4-3-5-9(14(8)20)19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)
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n/an/a 5.29n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191724
PNG
(US9186360, 74)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(OCC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C22H18ClF3N4O5S/c1-10-12(17-18(32)29(2)21(33)30(3)19(17)35-10)7-16(31)28-20-27-14(8-36-20)11-4-5-15(13(23)6-11)34-9-22(24,25)26/h4-6,8H,7,9H2,1-3H3,(H,27,28,31)
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n/an/a 5.29n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191666
PNG
(US9186360, 84)
Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H12F5N5O3S2/c1-28-15(31)12-9(27-34-16(12)29(2)18(28)32)5-11(30)26-17-25-10(6-33-17)7-3-4-8(19(22,23)24)14(21)13(7)20/h3-4,6H,5H2,1-2H3,(H,25,26,30)
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n/an/a 5.35n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191648
PNG
(US9186360, 33)
Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H15F5N4O3S/c1-30-15-5-3-4-10(17(15)19(33)31(2)21(30)34)8-16(32)29-20-28-14(9-35-20)11-6-12(23)18(13(24)7-11)22(25,26)27/h3-7,9H,8H2,1-2H3,(H,28,29,32)
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n/an/a 5.37n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191726
PNG
(US9186360, 77)
Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H12F5N5O3S2/c1-28-15(31)12-9(27-34-16(12)29(2)18(28)32)5-11(30)26-17-25-10(6-33-17)7-3-4-8(20)13(14(7)21)19(22,23)24/h3-4,6H,5H2,1-2H3,(H,25,26,30)
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n/an/a 5.60n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM50046740
PNG
(CHEMBL1939972 | US9186360, 90)
Show SMILES COCCCOc1cccc(c1)C1NC(=S)NC2=C1C(=O)c1ccccc21 |c:18|
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/h2-4,6-9,12,18H,5,10-11H2,1H3,(H2,22,23,27)
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n/an/a 5.61n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191647
PNG
(US9186360, 32)
Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H17F5N4O4S/c1-31-16-5-3-4-11(18(16)20(34)32(2)22(31)35)8-17(33)30-21-29-15(9-37-21)12-6-13(24)19(14(25)7-12)36-10-23(26,27)28/h3-7,9H,8,10H2,1-2H3,(H,29,30,33)
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n/an/a 5.96n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191657
PNG
(US9186360, 80)
Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H13ClF3N5O4S2/c1-27-15(30)14-10(26-34-16(14)28(2)18(27)31)6-13(29)25-17-24-11(7-33-17)8-3-4-12(9(20)5-8)32-19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)
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n/an/a 6.28n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191689
PNG
(US9186360, 28)
Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H15F5N4O3S/c1-30-14-5-3-4-10(16(14)19(33)31(2)21(30)34)8-15(32)29-20-28-13(9-35-20)11-6-7-12(22(25,26)27)18(24)17(11)23/h3-7,9H,8H2,1-2H3,(H,28,29,32)
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n/an/a 6.49n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191716
PNG
(US9186360, 65)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O4S/c1-9-12(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-14(8-34-19)11-5-4-10(6-13(11)22)21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)
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n/an/a 6.65n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191729
PNG
(US9186360, 81)
Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H13F4N5O3S2/c1-27-15(30)14-11(26-33-16(14)28(2)18(27)31)6-13(29)25-17-24-12(7-32-17)8-3-4-9(10(20)5-8)19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)
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n/an/a 6.74n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191658
PNG
(US9186360, 86)
Show SMILES Cn1c2nccc(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H16F5N5O4S/c1-31-18-16(19(34)32(2)21(31)35)10(3-4-28-18)7-15(33)30-20-29-14(8-37-20)11-5-12(23)17(13(24)6-11)36-9-22(25,26)27/h3-6,8H,7,9H2,1-2H3,(H,29,30,33)
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n/an/a 6.91n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191720
PNG
(US9186360, 69)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F4N4O4S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-14(8-34-19)10-4-5-13(22)12(6-10)21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)
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n/an/a 7.10n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191663
PNG
(US9186360, 104)
Show SMILES Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H12ClF5N4O4S/c1-29-16(32)12-8(15(21)34-17(12)30(2)19(29)33)5-11(31)28-18-27-10(6-35-18)7-3-4-9(20(24,25)26)14(23)13(7)22/h3-4,6H,5H2,1-2H3,(H,27,28,31)
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n/an/a 7.58n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191742
PNG
(US9186360, 102)
Show SMILES Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H13ClF4N4O5S/c1-28-16(31)14-9(15(21)33-17(14)29(2)19(28)32)6-13(30)27-18-26-11(7-35-18)8-3-4-12(10(22)5-8)34-20(23,24)25/h3-5,7H,6H2,1-2H3,(H,26,27,30)
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n/an/a 7.67n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191730
PNG
(US9186360, 82)
Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H13F4N5O4S2/c1-27-15(30)14-10(26-34-16(14)28(2)18(27)31)6-13(29)25-17-24-11(7-33-17)8-3-4-12(9(20)5-8)32-19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)
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n/an/a 8.04n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191700
PNG
(US9186360, 44)
Show SMILES Cn1c2c[nH]n(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCC(C)(C)C)c(Cl)c3)c2c(=O)n(C)c1=O
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n/an/a 8.36n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191665
PNG
(US9186360, 73)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(OC(F)(F)F)c(Cl)c1
Show InChI InChI=1S/C21H16ClF3N4O5S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-13(8-35-19)10-4-5-14(12(22)6-10)34-21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)
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n/an/a 8.54n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191732
PNG
(US9186360, 85)
Show SMILES Cn1c2nccc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H15F4N5O3S/c1-29-17-16(18(32)30(2)20(29)33)11(5-6-26-17)8-15(31)28-19-27-14(9-34-19)10-3-4-12(13(22)7-10)21(23,24)25/h3-7,9H,8H2,1-2H3,(H,27,28,31)
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n/an/a 8.92n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191714
PNG
(US9186360, 63)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(Cl)c(OC(F)(F)F)c1
Show InChI InChI=1S/C21H16ClF3N4O5S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-13(8-35-19)10-4-5-12(22)14(6-10)34-21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)
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n/an/a 9.04n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191662
PNG
(US9186360, 101)
Show SMILES Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H12ClF5N4O4S/c1-29-16(32)12-8(15(21)34-17(12)30(2)19(29)33)5-11(31)28-18-27-10(6-35-18)7-3-4-9(22)13(14(7)23)20(24,25)26/h3-4,6H,5H2,1-2H3,(H,27,28,31)
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n/an/a 10.1n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191727
PNG
(US9186360, 78)
Show SMILES Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(cc3F)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H13F4N5O3S2/c1-27-15(30)14-11(26-33-16(14)28(2)18(27)31)6-13(29)25-17-24-12(7-32-17)9-4-3-8(5-10(9)20)19(21,22)23/h3-5,7H,6H2,1-2H3,(H,24,25,29)
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n/an/a 10.6n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191697
PNG
(US9186360, 41)
Show SMILES Cn1nc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C20H16F4N6O4S/c1-28-16-15(17(32)29(2)19(28)33)12(30(3)27-16)7-14(31)26-18-25-11(8-35-18)9-4-5-13(10(21)6-9)34-20(22,23)24/h4-6,8H,7H2,1-3H3,(H,25,26,31)
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n/an/a 11.0n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191690
PNG
(US9186360, 29)
Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H16F4N4O4S/c1-29-15-5-3-4-12(18(15)19(32)30(2)21(29)33)9-17(31)28-20-27-14(10-35-20)11-6-7-16(13(23)8-11)34-22(24,25)26/h3-8,10H,9H2,1-2H3,(H,27,28,31)
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n/an/a 11.4n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191698
PNG
(US9186360, 42)
Show SMILES Cn1c2c[nH]n(CC(=O)Nc3nc(cs3)-c3cc(F)c(OCC(C)(C)C)c(Cl)c3)c2c(=O)n(C)c1=O
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n/an/a 11.4n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191734
PNG
(US9186360, 88)
Show SMILES Cn1c2nccc(CC(=O)Nc3nc(cs3)-c3ccc(OC(F)(F)F)c(F)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H15F4N5O4S/c1-29-17-16(18(32)30(2)20(29)33)11(5-6-26-17)8-15(31)28-19-27-13(9-35-19)10-3-4-14(12(22)7-10)34-21(23,24)25/h3-7,9H,8H2,1-2H3,(H,27,28,31)
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n/an/a 11.4n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191711
PNG
(US9186360, 58)
Show SMILES Cn1c2occ(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H14F4N4O4S/c1-27-16(30)15-10(7-32-17(15)28(2)19(27)31)6-14(29)26-18-25-13(8-33-18)9-3-4-12(21)11(5-9)20(22,23)24/h3-5,7-8H,6H2,1-2H3,(H,25,26,29)
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n/an/a 11.9n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191650
PNG
(US9186360, 37)
Show SMILES Cn1c2cnn(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCC(C)(C)C)c(Cl)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H24Cl2N6O4S/c1-23(2,3)11-35-19-13(24)6-12(7-14(19)25)15-10-36-21(27-15)28-17(32)9-31-18-16(8-26-31)29(4)22(34)30(5)20(18)33/h6-8,10H,9,11H2,1-5H3,(H,27,28,32)
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n/an/a 12.3n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191721
PNG
(US9186360, 70)
Show SMILES Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1S/C21H16F4N4O5S/c1-9-11(16-17(31)28(2)20(32)29(3)18(16)33-9)7-15(30)27-19-26-13(8-35-19)10-4-5-14(12(22)6-10)34-21(23,24)25/h4-6,8H,7H2,1-3H3,(H,26,27,30)
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n/an/a 12.6n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM191645
PNG
(US9186360, 18)
Show SMILES Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H16F4N4O3S/c1-29-16-5-3-4-12(18(16)19(32)30(2)21(29)33)9-17(31)28-20-27-15(10-34-20)11-6-7-13(14(23)8-11)22(24,25)26/h3-8,10H,9H2,1-2H3,(H,27,28,31)
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n/an/a 13.4n/an/an/an/an/a25



GLENMARK PHARMACEUTICALS S.A.

US Patent


Assay Description
The inhibition of TRPA1 receptor activation was measured as inhibition of allylisothiocyanate (AITC) induced cellular uptake of radioactive calcium. ...

US Patent US9186360 (2015)


BindingDB Entry DOI: 10.7270/Q2TX3D5Q
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%