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Compile Data Set for Download or QSAR

Found 1689 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily A member 1'   
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))
BDBM50318511
PNG
(CHEMBL1085100 | dibenzo[b,f][1,4]oxazepine)
Show SMILES O1c2ccccc2C=Nc2ccccc12
Show InChI InChI=1S/C13H9NO/c1-3-7-12-10(5-1)9-14-11-6-2-4-8-13(11)15-12/h1-9H
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n/an/a 0.700n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as concentration required to incapacitate 50% of the population exposed to t...


J Med Chem 53: 7011-20 (2010)


Article DOI: 10.1021/jm100477n
BindingDB Entry DOI: 10.7270/Q2474B2T
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=1/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?/s2
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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50193602
PNG
(CHEMBL3907685)
Show SMILES OC1(CCN(CC1)C(CNC(=O)C1(CCCC1)c1ccc(Cl)cc1)Cc1ccccc1)C(F)(F)F
Show InChI InChI=1/C27H32ClF3N2O2/c28-22-10-8-21(9-11-22)25(12-4-5-13-25)24(34)32-19-23(18-20-6-2-1-3-7-20)33-16-14-26(35,15-17-33)27(29,30)31/h1-3,6-11,23,35H,4-5,12-19H2,(H,32,34)
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n/an/a 1n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of cinnamaldehyde-activated full length human TRPA1 channel expressed in 293T-Rex cells monitored at 5 sec interval by manual patch clamp ...


ACS Med Chem Lett 7: 658-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00245
BindingDB Entry DOI: 10.7270/Q2NS0WVD
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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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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+/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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n/an/a 1n/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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
More data for this
Ligand-Target Pair
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
More data for this
Ligand-Target Pair
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))
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50193601
PNG
(CHEMBL3903533)
Show SMILES OC1(CCN(CC1)C(CNC(=O)C1(CC1)c1ccc(Cl)cc1)Cc1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1/C25H27ClF4N2O2/c26-19-5-3-18(4-6-19)23(9-10-23)22(33)31-16-21(15-17-1-7-20(27)8-2-17)32-13-11-24(34,12-14-32)25(28,29)30/h1-8,21,34H,9-16H2,(H,31,33)
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Temple University

Curated by ChEMBL


Assay Description
Inhibition of cinnamaldehyde-activated full length human TRPA1 channel expressed in 293T-Rex cells monitored at 5 sec interval by manual patch clamp ...


ACS Med Chem Lett 7: 658-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00245
BindingDB Entry DOI: 10.7270/Q2NS0WVD
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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)


Article DOI: 10.1021/jm701079h
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)


Article DOI: 10.1021/jm701079h
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=1/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?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM361788
PNG
(US10221177, Compound 153)
Show SMILES C[C@@H](C(=O)Nc1csc(n1)-c1cnc(nc1)N1CC2CC2C1)n1cnc2n(C)c(=O)n(CC(C)=O)c(=O)c12
Show InChI InChI=1/C24H25N9O4S/c1-12(34)7-32-22(36)18-19(30(3)24(32)37)27-11-33(18)13(2)20(35)28-17-10-38-21(29-17)16-5-25-23(26-6-16)31-8-14-4-15(14)9-31/h5-6,10-11,13-15H,4,7-9H2,1-3H3,(H,28,35)/t13-,14?,15?/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM361807
PNG
(US10221177, Compound 172)
Show SMILES C[C@@H](C(=O)Nc1ccnc(n1)-c1cnc(C)c(c1)C(F)(F)F)n1cnc2n(C)c(=O)n(Cc3noc(C)n3)c(=O)c12
Show InChI InChI=1/C24H21F3N10O4/c1-11-15(24(25,26)27)7-14(8-29-11)19-28-6-5-16(32-19)33-21(38)12(2)37-10-30-20-18(37)22(39)36(23(40)35(20)4)9-17-31-13(3)41-34-17/h5-8,10,12H,9H2,1-4H3,(H,28,32,33,38)/t12-/s2
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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)


Article DOI: 10.1021/jm701079h
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=1/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-/s2
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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)


Article DOI: 10.1021/jm701079h
More data for this
Ligand-Target Pair
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