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Patent code US10221177

Compile Data Set for Download or QSAR

Found 261 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))		BDBM361749
PNG
(US10221177, Compound 112)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12
Show InChI InChI=1S/C24H21F3N8O4S/c1-11-5-15(32-39-11)8-34-22(37)18-19(33(4)23(34)38)29-10-35(18)13(3)20(36)30-17-9-40-21(31-17)14-6-16(24(25,26)27)12(2)28-7-14/h5-7,9-10,13H,8H2,1-4H3,(H,30,36)/t13-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361763
PNG
(US10221177, Compound 126)
Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12
Show InChI InChI=1S/C26H23F3N8O4/c1-13-8-17(34-41-13)11-36-24(39)21-22(35(4)25(36)40)31-12-37(21)15(3)23(38)33-20-7-5-6-19(32-20)16-9-18(26(27,28)29)14(2)30-10-16/h5-10,12,15H,11H2,1-4H3,(H,32,33,38)/t15-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361878
PNG
(US10221177, Compound 252)
Show SMILES Cc1noc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4csc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)n1
Show InChI InChI=1S/C22H18F3N9O4S/c1-10-13(22(23,24)25)4-12(5-26-10)19-30-14(8-39-19)29-15(35)6-33-9-27-18-17(33)20(36)34(21(37)32(18)3)7-16-28-11(2)31-38-16/h4-5,8-9H,6-7H2,1-3H3,(H,29,35)
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361872
PNG
(US10221177, Compound 246)
Show SMILES Cc1cc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4csc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)no1
Show InChI InChI=1S/C23H19F3N8O4S/c1-11-4-14(31-38-11)7-34-21(36)18-19(32(3)22(34)37)28-10-33(18)8-17(35)29-16-9-39-20(30-16)13-5-15(23(24,25)26)12(2)27-6-13/h4-6,9-10H,7-8H2,1-3H3,(H,29,35)
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361736
PNG
(US10221177, Compound 99)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
Show InChI InChI=1S/C23H22F3N7O4S/c1-5-14(34)8-32-21(36)17-18(31(4)22(32)37)28-10-33(17)12(3)19(35)29-16-9-38-20(30-16)13-6-15(23(24,25)26)11(2)27-7-13/h6-7,9-10,12H,5,8H2,1-4H3,(H,29,35)/t12-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361655
PNG
(US10221177, Compound 18)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c1=O
Show InChI InChI=1S/C25H26F3N9O4S/c1-4-15(38)10-36-22(40)18-19(34(3)24(36)41)31-12-37(18)13(2)20(39)32-17-11-42-21(33-17)14-8-29-23(30-9-14)35-7-5-6-16(35)25(26,27)28/h8-9,11-13,16H,4-7,10H2,1-3H3,(H,32,39)/t13-,16-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361762
PNG
(US10221177, Compound 125)
Show SMILES CCOc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(CC(=O)CC)c(=O)c23)n1
Show InChI InChI=1S/C26H26F3N7O5/c1-5-16(37)12-35-24(39)20-21(34(4)25(35)40)31-13-36(20)14(3)22(38)33-19-9-7-8-18(32-19)15-10-17(26(27,28)29)23(30-11-15)41-6-2/h7-11,13-14H,5-6,12H2,1-4H3,(H,32,33,38)/t14-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361761
PNG
(US10221177, Compound 124)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(OC)c(c3)C(F)(F)F)c2c1=O
Show InChI InChI=1S/C25H24F3N7O5/c1-5-15(36)11-34-23(38)19-20(33(3)24(34)39)30-12-35(19)13(2)21(37)32-18-8-6-7-17(31-18)14-9-16(25(26,27)28)22(40-4)29-10-14/h6-10,12-13H,5,11H2,1-4H3,(H,31,32,37)/t13-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361747
PNG
(US10221177, Compound 110)
Show SMILES C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12
Show InChI InChI=1S/C25H22F3N9O4/c1-12-7-16(34-41-12)10-36-23(39)19-21(35(4)24(36)40)31-11-37(19)14(3)22(38)33-18-5-6-29-20(32-18)15-8-17(25(26,27)28)13(2)30-9-15/h5-9,11,14H,10H2,1-4H3,(H,29,32,33,38)/t14-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361744
PNG
(US10221177, Compound 107 | US10221177, Compound 10...)
Show SMILES C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12
Show InChI InChI=1S/C13H15N7O4/c1-6(10(14)21)20-5-15-11-9(20)12(22)19(13(23)18(11)3)4-8-16-7(2)17-24-8/h5-6H,4H2,1-3H3,(H2,14,21)/t6-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361717
PNG
(US10221177, Compound 80)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O
Show InChI InChI=1S/C26H26F2N8O4S/c1-4-15(37)8-35-24(39)20-21(33(3)25(35)40)30-12-36(20)13(2)22(38)31-18-11-41-23(32-18)14-5-6-19(29-7-14)34-9-16-17(10-34)26(16,27)28/h5-7,11-13,16-17H,4,8-10H2,1-3H3,(H,31,38)/t13-,16?,17?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361670
PNG
(US10221177, Compound 33)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4CC4C3)c2c1=O
Show InChI InChI=1S/C26H28N8O4S/c1-4-18(35)11-33-25(37)21-22(31(3)26(33)38)28-13-34(21)14(2)23(36)29-19-12-39-24(30-19)15-5-6-20(27-8-15)32-9-16-7-17(16)10-32/h5-6,8,12-14,16-17H,4,7,9-11H2,1-3H3,(H,29,36)/t14-,16?,17?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361651
PNG
(US10221177, Compound 14 | US10221177, Compound 270)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O
Show InChI InChI=1S/C25H27N9O4S/c1-4-17(35)10-33-23(37)19-20(31(3)25(33)38)28-12-34(19)13(2)21(36)29-18-11-39-22(30-18)16-6-26-24(27-7-16)32-8-14-5-15(14)9-32/h6-7,11-15H,4-5,8-10H2,1-3H3,(H,29,36)/t13-,14?,15?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361868
PNG
(US10221177, Compound 241)
Show SMILES Cc1noc(Cn2c(=O)n(C)c3ncn(CC(=O)Nc4cccc(n4)-c4cnc(C)c(c4)C(F)(F)F)c3c2=O)n1
Show InChI InChI=1S/C24H20F3N9O4/c1-12-15(24(25,26)27)7-14(8-28-12)16-5-4-6-17(31-16)32-18(37)9-35-11-29-21-20(35)22(38)36(23(39)34(21)3)10-19-30-13(2)33-40-19/h4-8,11H,9-10H2,1-3H3,(H,31,32,37)
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361758
PNG
(US10221177, Compound 121)
Show SMILES COc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)n1
Show InChI InChI=1S/C26H23F3N8O5/c1-13-8-16(34-42-13)11-36-24(39)20-21(35(3)25(36)40)31-12-37(20)14(2)22(38)33-19-7-5-6-18(32-19)15-9-17(26(27,28)29)23(41-4)30-10-15/h5-10,12,14H,11H2,1-4H3,(H,32,33,38)/t14-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361663
PNG
(US10221177, Compound 26)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O
Show InChI InChI=1S/C27H27F2N9O4/c1-4-16(39)10-37-24(41)21-22(35(3)26(37)42)32-13-38(21)14(2)23(40)34-20-7-5-6-19(33-20)15-8-30-25(31-9-15)36-11-17-18(12-36)27(17,28)29/h5-9,13-14,17-18H,4,10-12H2,1-3H3,(H,33,34,40)/t14-,17?,18?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361894
PNG
(US10221177, Compound 268)
Show SMILES CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c1=O
Show InChI InChI=1S/C25H24F3N9O3S/c1-4-5-8-36-22(39)18-19(34(3)24(36)40)31-13-37(18)14(2)20(38)32-17-12-41-21(33-17)15-10-29-23(30-11-15)35-9-6-7-16(35)25(26,27)28/h10-14,16H,6-9H2,1-3H3,(H,32,38)/t14-,16-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361752
PNG
(US10221177, Compound 115)
Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12
Show InChI InChI=1S/C28H27F3N10O4/c1-15-10-18(37-45-15)13-40-25(43)22-23(38(3)27(40)44)34-14-41(22)16(2)24(42)36-21-8-4-6-19(35-21)17-11-32-26(33-12-17)39-9-5-7-20(39)28(29,30)31/h4,6,8,10-12,14,16,20H,5,7,9,13H2,1-3H3,(H,35,36,42)/t16-,20-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361671
PNG
(US10221177, Compound 34)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12
Show InChI InChI=1S/C23H22N10O3S/c1-12(33-11-27-18-17(33)21(35)32(4-3-24)23(36)30(18)2)19(34)28-16-10-37-20(29-16)15-6-25-22(26-7-15)31-8-13-5-14(13)9-31/h6-7,10-14H,4-5,8-9H2,1-2H3,(H,28,34)/t12-,13?,14?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361792
PNG
(US10221177, Compound 157)
Show SMILES CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CCC[C@@H]3C(F)(F)F)c2c1=O
Show InChI InChI=1S/C25H24F3N9O3S/c1-4-5-8-36-22(39)18-19(34(3)24(36)40)31-13-37(18)14(2)20(38)32-17-12-41-21(33-17)15-10-29-23(30-11-15)35-9-6-7-16(35)25(26,27)28/h10-14,16H,6-9H2,1-3H3,(H,32,38)/t14-,16+/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361759
PNG
(US10221177, Compound 122)
Show SMILES CCOc1ncc(cc1C(F)(F)F)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)n1
Show InChI InChI=1S/C27H25F3N8O5/c1-5-42-24-18(27(28,29)30)10-16(11-31-24)19-7-6-8-20(33-19)34-23(39)15(3)38-13-32-22-21(38)25(40)37(26(41)36(22)4)12-17-9-14(2)43-35-17/h6-11,13,15H,5,12H2,1-4H3,(H,33,34,39)/t15-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361744
PNG
(US10221177, Compound 107 | US10221177, Compound 10...)
Show SMILES C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(Cc3nc(C)no3)c(=O)c12
Show InChI InChI=1S/C13H15N7O4/c1-6(10(14)21)20-5-15-11-9(20)12(22)19(13(23)18(11)3)4-8-16-7(2)17-24-8/h5-6H,4H2,1-3H3,(H2,14,21)/t6-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361666
PNG
(US10221177, Compound 29)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1ccc(Cl)c(Cl)c1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12
Show InChI InChI=1S/C20H15Cl2N7O3S/c1-10(29-9-24-16-15(29)19(31)28(6-5-23)20(32)27(16)2)17(30)25-14-8-33-18(26-14)11-3-4-12(21)13(22)7-11/h3-4,7-10H,6H2,1-2H3,(H,25,30)/t10-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361665
PNG
(US10221177, Compound 28)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12
Show InChI InChI=1S/C23H21F3N10O3S/c1-12(36-11-30-17-16(36)20(38)35(7-5-27)22(39)33(17)2)18(37)31-15-10-40-19(32-15)13-8-28-21(29-9-13)34-6-3-4-14(34)23(24,25)26/h8-12,14H,3-4,6-7H2,1-2H3,(H,31,37)/t12-,14-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361656
PNG
(US10221177, Compound 19)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(Cl)c(Cl)c3)c2c1=O
Show InChI InChI=1S/C22H20Cl2N6O4S/c1-4-13(31)8-29-21(33)17-18(28(3)22(29)34)25-10-30(17)11(2)19(32)26-16-9-35-20(27-16)12-5-6-14(23)15(24)7-12/h5-7,9-11H,4,8H2,1-3H3,(H,26,32)/t11-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361888
PNG
(US10221177, Compound 262)
Show SMILES CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3ccc(nc3)N3CC4C(C3)C4(F)F)c2c1=O
Show InChI InChI=1S/C26H24F2N8O3S/c1-4-5-8-35-24(38)20-21(33(3)25(35)39)30-13-36(20)14(2)22(37)31-18-12-40-23(32-18)15-6-7-19(29-9-15)34-10-16-17(11-34)26(16,27)28/h6-7,9,12-14,16-17H,8,10-11H2,1-3H3,(H,31,37)/t14-,16?,17?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361862
PNG
(US10221177, Compound 235)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
Show InChI InChI=1S/C24H22F3N7O4/c1-4-15(35)10-34-22(37)20-21(32(3)23(34)38)29-12-33(20)11-19(36)31-18-7-5-6-17(30-18)14-8-16(24(25,26)27)13(2)28-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,30,31,36)
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361695
PNG
(US10221177, Compound 58)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12
Show InChI InChI=1S/C23H20F2N10O3S/c1-11(35-10-29-17-16(35)20(37)34(4-3-26)22(38)32(17)2)18(36)30-15-9-39-19(31-15)12-5-27-21(28-6-12)33-7-13-14(8-33)23(13,24)25/h5-6,9-11,13-14H,4,7-8H2,1-2H3,(H,30,36)/t11-,13?,14?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361750
PNG
(US10221177, Compound 113)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3cccc(n3)-c3cnc(cn3)N3CC4CC4C3)c2c1=O
Show InChI InChI=1S/C27H29N9O4/c1-4-18(37)13-35-26(39)23-24(33(3)27(35)40)30-14-36(23)15(2)25(38)32-21-7-5-6-19(31-21)20-9-29-22(10-28-20)34-11-16-8-17(16)12-34/h5-7,9-10,14-17H,4,8,11-13H2,1-3H3,(H,31,32,38)/t15-,16?,17?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361673
PNG
(US10221177, Compound 36)
Show SMILES CCN(CC)c1ncc(cn1)-c1nc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)cs1
Show InChI InChI=1S/C25H28N10O4S/c1-6-33(7-2)24-26-9-16(10-27-24)22-30-18(12-40-22)29-21(36)15(4)35-13-28-20-19(35)23(37)34(25(38)32(20)5)11-17-8-14(3)39-31-17/h8-10,12-13,15H,6-7,11H2,1-5H3,(H,29,36)/t15-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361657
PNG
(US10221177, Compound 20)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1ccc(Cl)c(Cl)c1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12
Show InChI InChI=1S/C21H18Cl2N6O4S/c1-10(30)7-28-20(32)16-17(27(3)21(28)33)24-9-29(16)11(2)18(31)25-15-8-34-19(26-15)12-4-5-13(22)14(23)6-12/h4-6,8-9,11H,7H2,1-3H3,(H,25,31)/t11-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361751
PNG
(US10221177, Compound 114)
Show SMILES C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12
Show InChI InChI=1S/C27H26F3N11O4/c1-14-9-17(37-45-14)12-40-24(43)20-22(38(3)26(40)44)34-13-41(20)15(2)23(42)36-19-6-7-31-21(35-19)16-10-32-25(33-11-16)39-8-4-5-18(39)27(28,29)30/h6-7,9-11,13,15,18H,4-5,8,12H2,1-3H3,(H,31,35,36,42)/t15-,18-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361822
PNG
(US10221177, Compound 189)
Show SMILES Cn1c2ncn(CC(=O)Nc3cccc(n3)-c3cnc(nc3)N3CCC[C@H]3C(F)(F)F)c2c(=O)n(Cc2ccccn2)c1=O
Show InChI InChI=1S/C28H25F3N10O3/c1-38-24-23(25(43)41(27(38)44)14-18-6-2-3-10-32-18)39(16-35-24)15-22(42)37-21-9-4-7-19(36-21)17-12-33-26(34-13-17)40-11-5-8-20(40)28(29,30)31/h2-4,6-7,9-10,12-13,16,20H,5,8,11,14-15H2,1H3,(H,36,37,42)/t20-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361694
PNG
(US10221177, Compound 57)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O
Show InChI InChI=1S/C25H25F2N9O4S/c1-4-14(37)7-35-22(39)18-19(33(3)24(35)40)30-11-36(18)12(2)20(38)31-17-10-41-21(32-17)13-5-28-23(29-6-13)34-8-15-16(9-34)25(15,26)27/h5-6,10-12,15-16H,4,7-9H2,1-3H3,(H,31,38)/t12-,15?,16?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361798
PNG
(US10221177, Compound 163)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3noc(C)n3)c(=O)c12
Show InChI InChI=1S/C23H20F3N9O4S/c1-10-14(23(24,25)26)5-13(6-27-10)20-31-16(8-40-20)30-19(36)11(2)35-9-28-18-17(35)21(37)34(22(38)33(18)4)7-15-29-12(3)39-32-15/h5-6,8-9,11H,7H2,1-4H3,(H,30,36)/t11-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361648
PNG
(US10221177, Compound 11 | US10221177, Compound 149)
Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12
Show InChI InChI=1S/C25H24N10O3/c1-14(35-13-29-21-20(35)23(37)34(7-6-26)25(38)32(21)2)22(36)31-19-5-3-4-18(30-19)17-9-27-24(28-10-17)33-11-15-8-16(15)12-33/h3-5,9-10,13-16H,7-8,11-12H2,1-2H3,(H,30,31,36)/t14-,15?,16?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361781
PNG
(US10221177, Compound 145)
Show SMILES CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4CC4C3)c2c1=O
Show InChI InChI=1S/C25H25N9O3S/c1-4-5-6-33-23(36)19-20(31(3)25(33)37)28-13-34(19)14(2)21(35)29-18-12-38-22(30-18)17-8-26-24(27-9-17)32-10-15-7-16(15)11-32/h8-9,12-16H,6-7,10-11H2,1-3H3,(H,29,35)/t14-,15?,16?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361766
PNG
(US10221177, Compound 129)
Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(c(C)c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12
Show InChI InChI=1S/C26H23F3N8O4/c1-13-8-16(10-30-21(13)26(27,28)29)18-6-5-7-19(32-18)33-23(38)15(3)37-12-31-22-20(37)24(39)36(25(40)35(22)4)11-17-9-14(2)41-34-17/h5-10,12,15H,11H2,1-4H3,(H,32,33,38)/t15-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361701
PNG
(US10221177, Compound 64)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12
Show InChI InChI=1S/C24H23N9O3S/c1-13(33-12-27-20-19(33)23(35)32(6-5-25)24(36)30(20)2)21(34)28-17-11-37-22(29-17)14-3-4-18(26-8-14)31-9-15-7-16(15)10-31/h3-4,8,11-13,15-16H,6-7,9-10H2,1-2H3,(H,28,34)/t13-,15?,16?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361700
PNG
(US10221177, Compound 63)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1ccc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12
Show InChI InChI=1S/C25H26N8O4S/c1-13(34)8-32-24(36)20-21(30(3)25(32)37)27-12-33(20)14(2)22(35)28-18-11-38-23(29-18)15-4-5-19(26-7-15)31-9-16-6-17(16)10-31/h4-5,7,11-12,14,16-17H,6,8-10H2,1-3H3,(H,28,35)/t14-,16?,17?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361733
PNG
(US10221177, Compound 96)
Show SMILES C[C@@H](C(=O)Nc1cncc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12
Show InChI InChI=1S/C27H26F3N11O4/c1-14-7-17(37-45-14)12-40-24(43)21-22(38(3)26(40)44)34-13-41(21)15(2)23(42)36-20-11-31-10-18(35-20)16-8-32-25(33-9-16)39-6-4-5-19(39)27(28,29)30/h7-11,13,15,19H,4-6,12H2,1-3H3,(H,35,36,42)/t15-,19-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361720
PNG
(US10221177, Compound 83)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(c(C)c3)C(F)(F)F)c2c1=O
Show InChI InChI=1S/C23H22F3N7O4S/c1-5-14(34)8-32-21(36)16-18(31(4)22(32)37)28-10-33(16)12(3)19(35)29-15-9-38-20(30-15)13-6-11(2)17(27-7-13)23(24,25)26/h6-7,9-10,12H,5,8H2,1-4H3,(H,29,35)/t12-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361703
PNG
(US10221177, Compound 66)
Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1ccc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12
Show InChI InChI=1S/C26H23F2N9O3/c1-14(37-13-31-22-21(37)24(39)36(9-8-29)25(40)34(22)2)23(38)33-19-5-3-4-18(32-19)15-6-7-20(30-10-15)35-11-16-17(12-35)26(16,27)28/h3-7,10,13-14,16-17H,9,11-12H2,1-2H3,(H,32,33,38)/t14-,16?,17?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361714
PNG
(US10221177, Compound 77)
Show SMILES C[C@@H](C(=O)Nc1cncc(n1)-c1ccc(nc1)N1CC2C(C1)C2(F)F)n1cnc2n(C)c(=O)n(CC#N)c(=O)c12
Show InChI InChI=1S/C25H22F2N10O3/c1-13(37-12-31-21-20(37)23(39)36(6-5-28)24(40)34(21)2)22(38)33-18-9-29-8-17(32-18)14-3-4-19(30-7-14)35-10-15-16(11-35)25(15,26)27/h3-4,7-9,12-13,15-16H,6,10-11H2,1-2H3,(H,32,33,38)/t13-,15?,16?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361644
PNG
(US10221177, Compound 7 | US10221177, Compound 91)
Show SMILES C[C@@H](C(N)=O)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12
Show InChI InChI=1S/C14H16N6O4/c1-7-4-9(17-24-7)5-19-13(22)10-12(18(3)14(19)23)16-6-20(10)8(2)11(15)21/h4,6,8H,5H2,1-3H3,(H2,15,21)/t8-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361760
PNG
(US10221177, Compound 123)
Show SMILES C[C@@H](C(=O)Nc1cccc(n1)-c1cnc(Cl)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3cc(C)on3)c(=O)c12
Show InChI InChI=1S/C25H20ClF3N8O4/c1-12-7-15(34-41-12)10-36-23(39)19-21(35(3)24(36)40)31-11-37(19)13(2)22(38)33-18-6-4-5-17(32-18)14-8-16(25(27,28)29)20(26)30-9-14/h4-9,11,13H,10H2,1-3H3,(H,32,33,38)/t13-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361653
PNG
(US10221177, Compound 16)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CCC[C@H]1C(F)(F)F)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12
Show InChI InChI=1S/C24H24F3N9O4S/c1-12(37)9-35-21(39)17-18(33(3)23(35)40)30-11-36(17)13(2)19(38)31-16-10-41-20(32-16)14-7-28-22(29-8-14)34-6-4-5-15(34)24(25,26)27/h7-8,10-11,13,15H,4-6,9H2,1-3H3,(H,31,38)/t13-,15-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361664
PNG
(US10221177, Compound 27)
Show SMILES CCN(CC)c1ncc(cn1)-c1cccc(NC(=O)[C@H](C)n2cnc3n(C)c(=O)n(Cc4cc(C)on4)c(=O)c23)n1
Show InChI InChI=1S/C27H30N10O4/c1-6-35(7-2)26-28-12-18(13-29-26)20-9-8-10-21(31-20)32-24(38)17(4)37-15-30-23-22(37)25(39)36(27(40)34(23)5)14-19-11-16(3)41-33-19/h8-13,15,17H,6-7,14H2,1-5H3,(H,31,32,38)/t17-/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361893
PNG
(US10221177, Compound 267)
Show SMILES CC#CCn1c(=O)n(C)c2ncn([C@@H](C)C(=O)Nc3csc(n3)-c3cnc(nc3)N3CC4C(C3)C4(F)F)c2c1=O
Show InChI InChI=1S/C25H23F2N9O3S/c1-4-5-6-35-22(38)18-19(33(3)24(35)39)30-12-36(18)13(2)20(37)31-17-11-40-21(32-17)14-7-28-23(29-8-14)34-9-15-16(10-34)25(15,26)27/h7-8,11-13,15-16H,6,9-10H2,1-3H3,(H,31,37)/t13-,15?,16?/m0/s1
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))		BDBM361873
PNG
(US10221177, Compound 247)
Show SMILES CCC(=O)Cn1c(=O)n(C)c2ncn(CC(=O)Nc3csc(n3)-c3cnc(C)c(c3)C(F)(F)F)c2c1=O
Show InChI InChI=1S/C22H20F3N7O4S/c1-4-13(33)7-32-20(35)17-18(30(3)21(32)36)27-10-31(17)8-16(34)28-15-9-37-19(29-15)12-5-14(22(23,24)25)11(2)26-6-12/h5-6,9-10H,4,7-8H2,1-3H3,(H,28,34)
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Hydra Biosciences Inc

US Patent


Assay Description
Compounds of Formula (I) inhibit the TRPA1 channel, as shown by measuring the in vitro inhibition of human TRPA1, provided in data tables shown in Ta...

US Patent US10221177 (2019)


BindingDB Entry DOI: 10.7270/Q2445PR8
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%