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Patent code US10913742

Compile Data Set for Download or QSAR
Found 110 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481835
PNG
(4-[3-[5-[(5-methyl-4-oxo- pyrido[2,3-d]pyrimidin-3...)
Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(cc4)C#N)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C22H18N6O3/c1-13-6-7-24-20-19(13)21(29)27(12-25-20)11-18-26-28(22(30)31-18)17-8-16(9-17)15-4-2-14(10-23)3-5-15/h2-7,12,16-17H,8-9,11H2,1H3/t16-,17-
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n/an/a 2.58n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481824
PNG
(5-[(5-methyl-4-oxo-pyrido[2,3- d]pyrimidin-3-yl)me...)
Show SMILES Cc1ccnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C22H20FN5O3/c1-13-8-9-24-20-19(13)21(29)27(12-25-20)11-18-26-28(22(30)31-18)17-7-4-15(10-17)14-2-5-16(23)6-3-14/h2-3,5-6,8-9,12,15,17H,4,7,10-11H2,1H3/t15-,17-/m1/s1
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n/an/a 4.76n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481849
PNG
(US10913742, Example 93 | trans-3-[[4-[3-(4- chloro...)
Show SMILES Cc1cc(nc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12)C#N
Show InChI InChI=1S/C22H17ClN6O3/c1-12-6-16(9-24)26-20-19(12)21(30)28(11-25-20)10-18-27-29(22(31)32-18)17-7-14(8-17)13-2-4-15(23)5-3-13/h2-6,11,14,17H,7-8,10H2,1H3/t14-,17-
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n/an/a 4.84n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481792
PNG
(5-[(5-methyl-4-oxo-pyrido[2,3- d]pyrimidin-3-yl)me...)
Show SMILES Cc1ccnc2ncn(Cc3nn(C[C@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H15ClFN5O3/c1-11-6-7-22-17-16(11)18(27)25(10-23-17)9-15-24-26(19(28)29-15)8-14(21)12-2-4-13(20)5-3-12/h2-7,10,14H,8-9H2,1H3/t14-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481844
PNG
(3-[3-(4- fluorophenyl)cyclobutyl]-5- [(5-methyl-4-...)
Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C21H18FN5O3/c1-12-6-7-23-19-18(12)20(28)26(11-24-19)10-17-25-27(21(29)30-17)16-8-14(9-16)13-2-4-15(22)5-3-13/h2-7,11,14,16H,8-10H2,1H3/t14-,16-
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n/an/a 5.76n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481829
PNG
(5-[(5-chloro-4-oxo-pyrido[2,3- d]pyrimidin-3-yl)me...)
Show SMILES Clc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2cnc3nccc(Cl)c3c2=O)oc1=O
Show InChI InChI=1S/C20H15Cl2N5O3/c21-13-3-1-11(2-4-13)12-7-14(8-12)27-20(29)30-16(25-27)9-26-10-24-18-17(19(26)28)15(22)5-6-23-18/h1-6,10,12,14H,7-9H2/t12-,14-
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n/an/a 5.88n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481862
PNG
(3-[3-(4- chlorophenyl)cyclobutyl]-5- [(5-methyl-4-...)
Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C21H18ClN5O3/c1-12-6-7-23-19-18(12)20(28)26(11-24-19)10-17-25-27(21(29)30-17)16-8-14(9-16)13-2-4-15(22)5-3-13/h2-7,11,14,16H,8-10H2,1H3/t14-,16-
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n/an/a 6.30n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481841
PNG
(3-(3-(3- chlorophenoxy)propyl)-5- ((5-methyl-4-oxo...)
Show SMILES Cc1ccnc2ncn(Cc3nn(CCCOc4cccc(Cl)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H18ClN5O4/c1-13-6-7-22-18-17(13)19(27)25(12-23-18)11-16-24-26(20(28)30-16)8-3-9-29-15-5-2-4-14(21)10-15/h2,4-7,10,12H,3,8-9,11H2,1H3
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n/an/a 6.34n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481796
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[(2S)-2-f...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc5ccccc5c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C21H17FN6O3/c1-26-11-23-19-18(26)20(29)27(12-24-19)10-17-25-28(21(30)31-17)9-16(22)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,11-12,16H,9-10H2,1H3/t16-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481848
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[(1R,3R)-...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H19FN6O3/c1-25-10-22-18-17(25)19(28)26(11-23-18)9-16-24-27(20(29)30-16)15-7-4-13(8-15)12-2-5-14(21)6-3-12/h2-3,5-6,10-11,13,15H,4,7-9H2,1H3/t13-,15-/m1/s1
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n/an/a 8.26n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481786
PNG
(3-((4-(4-chlorophenethyl)-5- oxo-4,5-dihydro-1,3,4...)
Show SMILES Cc1cc(nc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12)C#N
Show InChI InChI=1S/C20H15ClN6O3/c1-12-8-15(9-22)24-18-17(12)19(28)26(11-23-18)10-16-25-27(20(29)30-16)7-6-13-2-4-14(21)5-3-13/h2-5,8,11H,6-7,10H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481856
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[(1R,3R)-...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H19ClN6O3/c1-25-10-22-18-17(25)19(28)26(11-23-18)9-16-24-27(20(29)30-16)15-7-4-13(8-15)12-2-5-14(21)6-3-12/h2-3,5-6,10-11,13,15H,4,7-9H2,1H3/t13-,15-/m1/s1
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n/an/a 9.59n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481802
PNG
((R)-3-(2-(4-bromophenyl)-2- fluoroethyl)-5-((7-met...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(Br)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H14BrFN6O3/c1-23-8-20-15-14(23)16(26)24(9-21-15)7-13-22-25(17(27)28-13)6-12(19)10-2-4-11(18)5-3-10/h2-5,8-9,12H,6-7H2,1H3/t12-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481818
PNG
(3-[[4-[3-fluoro-3-(4- fluorophenyl)cyclobutyl]-5- ...)
Show SMILES Cc1cc(nc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12)C#N
Show InChI InChI=1S/C22H16F2N6O3/c1-12-6-15(9-25)27-19-18(12)20(31)29(11-26-19)10-17-28-30(21(32)33-17)16-7-22(24,8-16)13-2-4-14(23)5-3-13/h2-6,11,16H,7-8,10H2,1H3/t16-,22+
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n/an/a 11.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481820
PNG
(US10913742, Example 63 | trans-3-[3-(3- fluorophen...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4cccc(F)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17FN6O4/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)30-15)12-6-14(7-12)29-13-4-2-3-11(20)5-13/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 11.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481836
PNG
(5-[(5-methyl-4-oxo-pyrido[2,3- d]pyrimidin-3-yl)me...)
Show SMILES Cc1ccnc2ncn(Cc3nn(C[C@H](F)c4ccc(OC(F)F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H16F3N5O4/c1-11-6-7-24-17-16(11)18(29)27(10-25-17)9-15-26-28(20(30)32-15)8-14(21)12-2-4-13(5-3-12)31-19(22)23/h2-7,10,14,19H,8-9H2,1H3/t14-/m0/s1
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n/an/a 11.9n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481765
PNG
(3-[2-(4-chlorophenyl)ethyl]- 5-[(5-methyl-4-oxo- p...)
Show SMILES Cc1ccnc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H16ClN5O3/c1-12-6-8-21-17-16(12)18(26)24(11-22-17)10-15-23-25(19(27)28-15)9-7-13-2-4-14(20)5-3-13/h2-6,8,11H,7,9-10H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481823
PNG
(5-[(5-methyl-4-oxo-pyrido[2,3- d]pyrimidin-3-yl)me...)
Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc5ncccc5c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C24H20N6O3/c1-14-6-8-26-22-21(14)23(31)29(13-27-22)12-20-28-30(24(32)33-20)18-10-17(11-18)15-4-5-19-16(9-15)3-2-7-25-19/h2-9,13,17-18H,10-12H2,1H3/t17-,18-
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n/an/a 12.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481764
PNG
(3-(4-chlorophenethyl)-5-((5- methyl-4-oxopyrido[3,...)
Show SMILES Cc1cncc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H16ClN5O3/c1-12-8-21-9-15-17(12)18(26)24(11-22-15)10-16-23-25(19(27)28-16)7-6-13-2-4-14(20)5-3-13/h2-5,8-9,11H,6-7,10H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481808
PNG
(3-[3-(4- chlorophenyl)cyclobutyl]-5- [(7-methyl-6-...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17ClN6O3/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)29-15)14-6-12(7-14)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 14n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481780
PNG
(1-([4-[2-(4- chlorophenyl)ethyl]-5-oxo- 4,5-dihydr...)
Show SMILES Cn1cnc2c(nn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c2c1=O)C#N
Show InChI InChI=1S/C18H14ClN7O3/c1-24-10-21-15-13(8-20)22-26(16(15)17(24)27)9-14-23-25(18(28)29-14)7-6-11-2-4-12(19)5-3-11/h2-5,10H,6-7,9H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481839
PNG
(3-((4-((trans)-3-(4- chlorophenyl)cyclobutyl)-5- o...)
Show SMILES Cn1c2c(ccc1=O)ncn(Cc1nn([C@H]3C[C@@H](C3)c3ccc(Cl)cc3)c(=O)o1)c2=O
Show InChI InChI=1S/C21H18ClN5O4/c1-25-18(28)7-6-16-19(25)20(29)26(11-23-16)10-17-24-27(21(30)31-17)15-8-13(9-15)12-2-4-14(22)5-3-12/h2-7,11,13,15H,8-10H2,1H3/t13-,15-
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n/an/a 15.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481854
PNG
(US10913742, Example 98 | trans-3-[3-(4- chlorophen...)
Show SMILES Clc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2cnc3ncccc3c2=O)oc1=O
Show InChI InChI=1S/C20H16ClN5O3/c21-14-5-3-12(4-6-14)13-8-15(9-13)26-20(28)29-17(24-26)10-25-11-23-18-16(19(25)27)2-1-7-22-18/h1-7,11,13,15H,8-10H2/t13-,15-
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n/an/a 16.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481850
PNG
(US10913742, Example 94 | trans-3-[3-(4-chloropheny...)
Show SMILES F[C@@]1(C[C@@H](C1)n1nc(Cn2cnc3ncccc3c2=O)oc1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClFN5O3/c21-13-5-3-12(4-6-13)20(22)8-14(9-20)27-19(29)30-16(25-27)10-26-11-24-17-15(18(26)28)2-1-7-23-17/h1-7,11,14H,8-10H2/t14-,20+
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n/an/a 16.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481827
PNG
(US10913742, Example 70 | trans-3-[3-(3- chlorophen...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4cccc(Cl)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17ClN6O4/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)30-15)12-6-14(7-12)29-13-4-2-3-11(20)5-13/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 17.7n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481868
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[3-(2- na...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc5ccccc5c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C23H20N6O3/c1-27-12-24-21-20(27)22(30)28(13-25-21)11-19-26-29(23(31)32-19)18-9-17(10-18)16-7-6-14-4-2-3-5-15(14)8-16/h2-8,12-13,17-18H,9-11H2,1H3/t17-,18-
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n/an/a 17.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481798
PNG
(5-((8-chloro-5-methyl-4- oxopyrido[3,4-d]pyrimidin...)
Show SMILES Cc1cnc(Cl)c2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H15Cl2N5O3/c1-11-8-22-17(21)16-15(11)18(27)25(10-23-16)9-14-24-26(19(28)29-14)7-6-12-2-4-13(20)5-3-12/h2-5,8,10H,6-7,9H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481801
PNG
(3-(4-chlorophenethyl)-5-((5,7- dimethyl-4-oxoimida...)
Show SMILES Cc1cnc(C#N)c2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H15ClN6O3/c1-12-9-23-15(8-22)18-17(12)19(28)26(11-24-18)10-16-25-27(20(29)30-16)7-6-13-2-4-14(21)5-3-13/h2-5,9,11H,6-7,10H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481852
PNG
(3-[3-fluoro-3-(4- fluorophenyl)cyclobutyl]-5- [(5-...)
Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C21H17F2N5O3/c1-12-6-7-24-18-17(12)19(29)27(11-25-18)10-16-26-28(20(30)31-16)15-8-21(23,9-15)13-2-4-14(22)5-3-13/h2-7,11,15H,8-10H2,1H3/t15-,21+
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n/an/a 18n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481864
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[rac-(2R)...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(OC(F)(F)F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H14F4N6O4/c1-26-8-23-15-14(26)16(29)27(9-24-15)7-13-25-28(17(30)31-13)6-12(19)10-2-4-11(5-3-10)32-18(20,21)22/h2-5,8-9,12H,6-7H2,1H3/t12-/m0/s1
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n/an/a 19.1n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481810
PNG
(3-[3-(4- bromophenyl)cyclobutyl]-5- [(7-methyl-6-o...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Br)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17BrN6O3/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)29-15)14-6-12(7-14)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481822
PNG
(US10913742, Example 65 | trans-2-[[4-[3-(4- chloro...)
Show SMILES Clc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2ccn3c(cccc3=O)c2=O)oc1=O
Show InChI InChI=1S/C21H17ClN4O4/c22-15-6-4-13(5-7-15)14-10-16(11-14)26-21(29)30-18(23-26)12-24-8-9-25-17(20(24)28)2-1-3-19(25)27/h1-9,14,16H,10-12H2/t14-,16-
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n/an/a 21.1n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481833
PNG
(4-[1-fluoro-3-[5-[(5-methyl-4- oxo-pyrido[2,3-d]py...)
Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(cc4)C#N)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C22H17FN6O3/c1-13-6-7-25-19-18(13)20(30)28(12-26-19)11-17-27-29(21(31)32-17)16-8-22(23,9-16)15-4-2-14(10-24)3-5-15/h2-7,12,16H,8-9,11H2,1H3/t16-,22+
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n/an/a 21.4n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481816
PNG
(US10913742, Example 59 | trans-3-[3-(4- chlorophen...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17ClN6O3/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)29-15)14-6-12(7-14)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 22.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481842
PNG
(1-([4-[3-(3- chlorophenoxy)propyl]-5- oxo-4,5-dihy...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCCOc4cccc(Cl)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H17ClN6O4/c1-23-10-20-16-15(23)17(26)24(11-21-16)9-14-22-25(18(27)29-14)6-3-7-28-13-5-2-4-12(19)8-13/h2,4-5,8,10-11H,3,6-7,9H2,1H3
PDB

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n/an/a 22.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481858
PNG
(3-[3-[(trans)-4- (difluoromethoxy)phenyl] cyclobut...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(OC(F)F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H18F2N6O4/c1-26-9-23-17-16(26)18(29)27(10-24-17)8-15-25-28(20(30)32-15)13-6-12(7-13)11-2-4-14(5-3-11)31-19(21)22/h2-5,9-10,12-13,19H,6-8H2,1H3/t12-,13-
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n/an/a 26n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481788
PNG
(1-[[3-[2-(4- chlorophenyl)ethyl]-1,2,4- oxadiazol-...)
Show SMILES Cn1cnc2c(nn(Cc3nc(CCc4ccc(Cl)cc4)no3)c2c1=O)C#N
Show InChI InChI=1S/C18H14ClN7O2/c1-25-10-21-16-13(8-20)23-26(17(16)18(25)27)9-15-22-14(24-28-15)7-4-11-2-5-12(19)6-3-11/h2-3,5-6,10H,4,7,9H2,1H3
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n/an/a 26.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481817
PNG
(US10913742, Example 60 | trans-3-[3-(4- chlorophen...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17ClN6O3/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)29-15)14-6-12(7-14)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 28.4n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481859
PNG
(3-[3-(4-chlorophenyl)-3- fluoro-cyclobutyl]-5-[(5-...)
Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C21H17ClFN5O3/c1-12-6-7-24-18-17(12)19(29)27(11-25-18)10-16-26-28(20(30)31-16)15-8-21(23,9-15)13-2-4-14(22)5-3-13/h2-7,11,15H,8-10H2,1H3/t15-,21+
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n/an/a 29.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481861
PNG
(3-[3-(4-chloro-3-fluoro- phenyl)cyclobutyl]-5-[(7-...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)c(F)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H16ClFN6O3/c1-25-8-22-17-16(25)18(28)26(9-23-17)7-15-24-27(19(29)30-15)12-4-11(5-12)10-2-3-13(20)14(21)6-10/h2-3,6,8-9,11-12H,4-5,7H2,1H3/t11-,12-
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n/an/a 29.9n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481772
PNG
((R)-3-(2-(4-chlorophenyl)- 2-fluoroethyl)-5-((7-me...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H14ClFN6O3/c1-23-8-20-15-14(23)16(26)24(9-21-15)7-13-22-25(17(27)28-13)6-12(19)10-2-4-11(18)5-3-10/h2-5,8-9,12H,6-7H2,1H3/t12-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481777
PNG
((S)-3-(2-(4- chlorophenyl)propyl)-5-((7- methyl-6-...)
Show SMILES C[C@H](Cn1nc(Cn2cnc3ncn(C)c3c2=O)oc1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN6O3/c1-11(12-3-5-13(19)6-4-12)7-25-18(27)28-14(22-25)8-24-10-21-16-15(17(24)26)23(2)9-20-16/h3-6,9-11H,7-8H2,1-2H3/t11-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481790
PNG
(1-[(4-[2-[4- (difluoromethoxy)phenyl]ethyl]- 5-oxo...)
Show SMILES Cn1cnc2c(nn(Cc3nn(CCc4ccc(OC(F)F)cc4)c(=O)o3)c2c1=O)C#N
Show InChI InChI=1S/C19H15F2N7O4/c1-26-10-23-15-13(8-22)24-28(16(15)17(26)29)9-14-25-27(19(30)32-14)7-6-11-2-4-12(5-3-11)31-18(20)21/h2-5,10,18H,6-7,9H2,1H3
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n/an/a 36n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481857
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[rac-(1R,...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4cccc(Cl)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H19ClN6O3/c1-25-10-22-18-17(25)19(28)26(11-23-18)9-16-24-27(20(29)30-16)15-6-5-13(8-15)12-3-2-4-14(21)7-12/h2-4,7,10-11,13,15H,5-6,8-9H2,1H3/t13-,15-/m1/s1
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n/an/a 36.1n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481847
PNG
(5-[[4-[3-(4- chlorophenyl)cyclobutyl]-5- oxo-1,3,4...)
Show SMILES Cc1noc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H16ClN5O4/c1-10-16-17(29-23-10)21-9-24(18(16)26)8-15-22-25(19(27)28-15)14-6-12(7-14)11-2-4-13(20)5-3-11/h2-5,9,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 36.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481815
PNG
(2-[[4-[3-(4- chlorophenyl)cyclobutyl]-5- oxo-1,3,4...)
Show SMILES Cc1ccc(=O)n2ccn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C22H19ClN4O4/c1-13-2-7-19(28)26-9-8-25(21(29)20(13)26)12-18-24-27(22(30)31-18)17-10-15(11-17)14-3-5-16(23)6-4-14/h2-9,15,17H,10-12H2,1H3/t15-,17-
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n/an/a 40.3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481831
PNG
(3-[3-fluoro-3-(3- fluorophenyl)cyclobutyl]-5- [(5-...)
Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4cccc(F)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C21H17F2N5O3/c1-12-5-6-24-18-17(12)19(29)27(11-25-18)10-16-26-28(20(30)31-16)15-8-21(23,9-15)13-3-2-4-14(22)7-13/h2-7,11,15H,8-10H2,1H3/t15-,21+
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n/an/a 40.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481834
PNG
(5-[(4-oxopyrido[2,3- d]pyrimidin-3-yl)methyl]-3- [...)
Show SMILES Fc1ccc(cc1)[C@@H]1CC[C@H](C1)n1nc(Cn2cnc3ncccc3c2=O)oc1=O
Show InChI InChI=1S/C21H18FN5O3/c22-15-6-3-13(4-7-15)14-5-8-16(10-14)27-21(29)30-18(25-27)11-26-12-24-19-17(20(26)28)2-1-9-23-19/h1-4,6-7,9,12,14,16H,5,8,10-11H2/t14-,16-/m1/s1
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n/an/a 40.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481770
PNG
(5-((7-methyl-6-oxo-6H- purin-1(7H)-yl)methyl)-3- (...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc5ccccc5c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C21H18N6O3/c1-25-12-22-19-18(25)20(28)26(13-23-19)11-17-24-27(21(29)30-17)9-8-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,12-13H,8-9,11H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481843
PNG
(5-methyl-3-[[5-oxo-4-[rac- (2R)-2-(4-chlorophenyl)...)
Show SMILES Cn1c2c(ccc1=O)ncn(Cc1nn(C[C@H](F)c3ccc(Cl)cc3)c(=O)o1)c2=O
Show InChI InChI=1S/C19H15ClFN5O4/c1-24-16(27)7-6-14-17(24)18(28)25(10-22-14)9-15-23-26(19(29)30-15)8-13(21)11-2-4-12(20)5-3-11/h2-7,10,13H,8-9H2,1H3/t13-/m0/s1
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n/an/a 43.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481838
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[rac-(1S,...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@@H]4C[C@@H](F)[C@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H18ClFN6O3/c1-26-9-23-18-17(26)19(29)27(10-24-18)8-16-25-28(20(30)31-16)13-6-14(15(22)7-13)11-2-4-12(21)5-3-11/h2-5,9-10,13-15H,6-8H2,1H3/t13-,14+,15+/m0/s1
PDB

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n/an/a 43.9n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481761
PNG
(3-(4-bromophenethyl)-5-((7- methyl-6-oxo-6H-purin-...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(Br)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H15BrN6O3/c1-22-9-19-15-14(22)16(25)23(10-20-15)8-13-21-24(17(26)27-13)7-6-11-2-4-12(18)5-3-11/h2-5,9-10H,6-8H2,1H3
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n/an/a 44n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481811
PNG
(3-[3-(3- chlorophenyl)cyclobutyl]-5- [(7-methyl-6-...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4cccc(Cl)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17ClN6O3/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)29-15)14-6-12(7-14)11-3-2-4-13(20)5-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 44n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481819
PNG
(3-[3-[5-[(7-methyl-6-oxo-purin- 1-yl)methyl]-2-oxo...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4cccc(c4)C#N)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H17N7O4/c1-25-10-22-18-17(25)19(28)26(11-23-18)9-16-24-27(20(29)31-16)13-6-15(7-13)30-14-4-2-3-12(5-14)8-21/h2-5,10-11,13,15H,6-7,9H2,1H3/t13-,15-
PDB

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n/an/a 45.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481845
PNG
(3-[3-(4- chlorophenyl)cyclobutyl]-5- [(3-methyl-4-...)
Show SMILES Cn1cnc2cnn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17ClN6O3/c1-24-10-21-15-8-22-25(18(27)17(15)24)9-16-23-26(19(28)29-16)14-6-12(7-14)11-2-4-13(20)5-3-11/h2-5,8,10,12,14H,6-7,9H2,1H3/t12-,14-
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n/an/a 45.7n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481851
PNG
(5-[(4-oxopyrido[2,3- d]pyrimidin-3-yl)methyl]-3- [...)
Show SMILES F[C@@H](Cn1nc(Cn2cnc3ncccc3c2=O)oc1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClFN5O3/c19-12-5-3-11(4-6-12)14(20)8-25-18(27)28-15(23-25)9-24-10-22-16-13(17(24)26)2-1-7-21-16/h1-7,10,14H,8-9H2/t14-/m0/s1
PDB

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n/an/a 48.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481785
PNG
(3-(4-chlorophenethyl)-5-((4- methyl-5- oxopyridazi...)
Show SMILES Cc1cnnc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H15ClN6O3/c1-11-8-21-22-16-15(11)17(26)24(10-20-16)9-14-23-25(18(27)28-14)7-6-12-2-4-13(19)5-3-12/h2-5,8,10H,6-7,9H2,1H3
PDB

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n/an/a 49n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481837
PNG
(5-[(4-oxopyrido[2,3- d]pyrimidin-3-yl)methyl]-3- [...)
Show SMILES FC(F)Oc1ccc(cc1)[C@@H](F)Cn1nc(Cn2cnc3ncccc3c2=O)oc1=O
Show InChI InChI=1S/C19H14F3N5O4/c20-14(11-3-5-12(6-4-11)30-18(21)22)8-27-19(29)31-15(25-27)9-26-10-24-16-13(17(26)28)2-1-7-23-16/h1-7,10,14,18H,8-9H2/t14-/m0/s1
PDB

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n/an/a 50n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481825
PNG
(3-[3-(4- chlorophenoxy)cyclobutyl]-5- [(7-methyl-6...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4ccccc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H18N6O4/c1-23-10-20-17-16(23)18(26)24(11-21-17)9-15-22-25(19(27)29-15)12-7-14(8-12)28-13-5-3-2-4-6-13/h2-6,10-12,14H,7-9H2,1H3/t12-,14-
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n/an/a 56.9n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481855
PNG
(3-[3-fluoro-3-[4- (trifluoromethyl)phenyl] cyclobu...)
Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@](F)(C4)c4ccc(cc4)C(F)(F)F)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C22H17F4N5O3/c1-12-6-7-27-18-17(12)19(32)30(11-28-18)10-16-29-31(20(33)34-16)15-8-21(23,9-15)13-2-4-14(5-3-13)22(24,25)26/h2-7,11,15H,8-10H2,1H3/t15-,21-
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n/an/a 57.3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481828
PNG
(4-[3-[5-[(7-methyl-6-oxo-purin- 1-yl)methyl]-2-oxo...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(cc4)C#N)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H17N7O3/c1-25-10-22-18-17(25)19(28)26(11-23-18)9-16-24-27(20(29)30-16)15-6-14(7-15)13-4-2-12(8-21)3-5-13/h2-5,10-11,14-15H,6-7,9H2,1H3/t14-,15-
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n/an/a 59.7n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481807
PNG
((R)-3-((5-chloro-2,3- dihydro-1H-inden-1- yl)methy...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@@H]4CCc5cc(Cl)ccc45)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17ClN6O3/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)29-15)7-12-3-2-11-6-13(20)4-5-14(11)12/h4-6,9-10,12H,2-3,7-8H2,1H3/t12-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481860
PNG
(US10913742, Example 105 | trans-3-[3-(4-chlorophen...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H16ClFN6O3/c1-25-9-22-16-15(25)17(28)26(10-23-16)8-14-24-27(18(29)30-14)13-6-19(21,7-13)11-2-4-12(20)5-3-11/h2-5,9-10,13H,6-8H2,1H3/t13-,19+
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n/an/a 64n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481867
PNG
(3-[3-(4- fluorophenyl)cyclobutyl]-5- [(7-methyl-6-...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17FN6O3/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)29-15)14-6-12(7-14)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 64.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481805
PNG
(3-(4-chlorophenethyl)-5-((3- methyl-5-oxo-5H-thiaz...)
Show SMILES Cc1csc2ncc(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)n12
Show InChI InChI=1S/C18H15ClN4O3S/c1-11-10-27-17-20-9-13(16(24)23(11)17)8-15-21-22(18(25)26-15)7-6-12-2-4-14(19)5-3-12/h2-5,9-10H,6-8H2,1H3
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n/an/a 65n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481832
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[rac-(1R,...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4cccc(F)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H19FN6O3/c1-25-10-22-18-17(25)19(28)26(11-23-18)9-16-24-27(20(29)30-16)15-6-5-13(8-15)12-3-2-4-14(21)7-12/h2-4,7,10-11,13,15H,5-6,8-9H2,1H3/t13-,15-/m1/s1
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n/an/a 75.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481821
PNG
(US10913742, Example 64 | trans-3-[3-(4- chlorophen...)
Show SMILES Cn1nnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H16ClN7O3/c1-24-15-16(21-23-24)20-9-25(17(15)27)8-14-22-26(18(28)29-14)13-6-11(7-13)10-2-4-12(19)5-3-10/h2-5,9,11,13H,6-8H2,1H3/t11-,13-
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n/an/a 76.9n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481830
PNG
(3-[3-(3- fluorophenoxy)propyl]-5- [(7-methyl-6-oxo...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCCOc4cccc(F)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H17FN6O4/c1-23-10-20-16-15(23)17(26)24(11-21-16)9-14-22-25(18(27)29-14)6-3-7-28-13-5-2-4-12(19)8-13/h2,4-5,8,10-11H,3,6-7,9H2,1H3
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n/an/a 77.5n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481846
PNG
(3-[3-(4- chlorophenyl)cyclobutyl]-5- [(5-oxopyrido...)
Show SMILES Clc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2ncc3ncccc3c2=O)oc1=O
Show InChI InChI=1S/C20H16ClN5O3/c21-14-5-3-12(4-6-14)13-8-15(9-13)26-20(28)29-18(24-26)11-25-19(27)16-2-1-7-22-17(16)10-23-25/h1-7,10,13,15H,8-9,11H2/t13-,15-
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n/an/a 79.9n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481853
PNG
(3-[3-fluoro-3-(4- fluorophenyl)cyclobutyl]-5- [(7-...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@](F)(C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H16F2N6O3/c1-25-9-22-16-15(25)17(28)26(10-23-16)8-14-24-27(18(29)30-14)13-6-19(21,7-13)11-2-4-12(20)5-3-11/h2-5,9-10,13H,6-8H2,1H3/t13-,19+
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n/an/a 80.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481865
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[rac-(2R)...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@H](F)c4ccc(OC(F)F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H15F3N6O4/c1-25-8-22-15-14(25)16(28)26(9-23-15)7-13-24-27(18(29)31-13)6-12(19)10-2-4-11(5-3-10)30-17(20)21/h2-5,8-9,12,17H,6-7H2,1H3/t12-/m0/s1
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n/an/a 81.3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481768
PNG
(5-((7-methyl-6-oxo-6H- purin-1(7H)-yl)methyl)-3-(4...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(OC(F)(F)F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H15F3N6O4/c1-25-9-22-15-14(25)16(28)26(10-23-15)8-13-24-27(17(29)30-13)7-6-11-2-4-12(5-3-11)31-18(19,20)21/h2-5,9-10H,6-8H2,1H3
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n/an/a 86n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481787
PNG
(3-[2-(1-methylindol-5- yl)ethyl]-5-[(7-methyl-6- o...)
Show SMILES Cn1ccc2cc(CCn3nc(Cn4cnc5ncn(C)c5c4=O)oc3=O)ccc12
Show InChI InChI=1S/C20H19N7O3/c1-24-7-6-14-9-13(3-4-15(14)24)5-8-27-20(29)30-16(23-27)10-26-12-22-18-17(19(26)28)25(2)11-21-18/h3-4,6-7,9,11-12H,5,8,10H2,1-2H3
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n/an/a 87n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481866
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[3-[4- (t...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(cc4)C(F)(F)F)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H17F3N6O3/c1-27-9-24-17-16(27)18(30)28(10-25-17)8-15-26-29(19(31)32-15)14-6-12(7-14)11-2-4-13(5-3-11)20(21,22)23/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 90n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481759
PNG
(3-[2-(4-chlorophenyl)ethyl]- 5-[(7-methyl-6-oxo-pu...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H15ClN6O3/c1-22-9-19-15-14(22)16(25)23(10-20-15)8-13-21-24(17(26)27-13)7-6-11-2-4-12(18)5-3-11/h2-5,9-10H,6-8H2,1H3
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n/an/a 95n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481793
PNG
(3-[2-(4-chlorophenyl)ethyl]-5- [(3-methyl-4-oxo-im...)
Show SMILES Cn1cnc2cnn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H15ClN6O3/c1-22-10-19-13-8-20-24(16(25)15(13)22)9-14-21-23(17(26)27-14)7-6-11-2-4-12(18)5-3-11/h2-5,8,10H,6-7,9H2,1H3
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n/an/a 96n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481800
PNG
(3-(2-(6-chlorobiphenyl-3- yl)ethyl)-5-((7-methyl-6...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(Cl)c(c4)-c4ccccc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C23H19ClN6O3/c1-28-13-25-21-20(28)22(31)29(14-26-21)12-19-27-30(23(32)33-19)10-9-15-7-8-18(24)17(11-15)16-5-3-2-4-6-16/h2-8,11,13-14H,9-10,12H2,1H3
PDB

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n/an/a 98n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481781
PNG
(6-([4-[2-(4- chlorophenyl)ethyl]-5-oxo- 4,5-dihydr...)
Show SMILES Cn1nc(C#N)c2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H14ClN7O3/c1-24-16-15(13(8-20)22-24)21-10-25(17(16)27)9-14-23-26(18(28)29-14)7-6-11-2-4-12(19)5-3-11/h2-5,10H,6-7,9H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481812
PNG
(3-(3-(4- methoxyphenyl)cyclobutyl)-5- ((7-methyl-6...)
Show SMILES COc1ccc(cc1)[C@H]1C[C@@H](C1)n1nc(Cn2cnc3ncn(C)c3c2=O)oc1=O
Show InChI InChI=1S/C20H20N6O4/c1-24-10-21-18-17(24)19(27)25(11-22-18)9-16-23-26(20(28)30-16)14-7-13(8-14)12-3-5-15(29-2)6-4-12/h3-6,10-11,13-14H,7-9H2,1-2H3/t13-,14-
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n/an/a 105n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481804
PNG
(3-(4-chlorophenethyl)-5-((5- methyl-4-oxopyrimido[...)
Show SMILES Cc1ncnc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H15ClN6O3/c1-11-15-16(21-9-20-11)22-10-24(17(15)26)8-14-23-25(18(27)28-14)7-6-12-2-4-13(19)5-3-12/h2-5,9-10H,6-8H2,1H3
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n/an/a 107n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481797
PNG
(3-(4-chloro-3-methylphenethyl)- 5-((7-methyl-6-oxo...)
Show SMILES Cc1cc(CCn2nc(Cn3cnc4ncn(C)c4c3=O)oc2=O)ccc1Cl
Show InChI InChI=1S/C18H17ClN6O3/c1-11-7-12(3-4-13(11)19)5-6-25-18(27)28-14(22-25)8-24-10-21-16-15(17(24)26)23(2)9-20-16/h3-4,7,9-10H,5-6,8H2,1-2H3
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n/an/a 113n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481794
PNG
(7-[2-[5-[(7-methyl-6-oxo-purin- 1-yl)methyl]-2-oxo...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc5ccc(cc5c4)C#N)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C22H17N7O3/c1-27-12-24-20-19(27)21(30)28(13-25-20)11-18-26-29(22(31)32-18)7-6-14-2-4-16-5-3-15(10-23)9-17(16)8-14/h2-5,8-9,12-13H,6-7,11H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481789
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[2-(p- to...)
Show SMILES Cc1ccc(CCn2nc(Cn3cnc4ncn(C)c4c3=O)oc2=O)cc1
Show InChI InChI=1S/C18H18N6O3/c1-12-3-5-13(6-4-12)7-8-24-18(26)27-14(21-24)9-23-11-20-16-15(17(23)25)22(2)10-19-16/h3-6,10-11H,7-9H2,1-2H3
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n/an/a 126n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481783
PNG
(1-([4-[2-(4-bromo-3- chlorophenyl)ethyl]-5-oxo- 4,...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(Br)c(Cl)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H14BrClN6O3/c1-23-8-20-15-14(23)16(26)24(9-21-15)7-13-22-25(17(27)28-13)5-4-10-2-3-11(18)12(19)6-10/h2-3,6,8-9H,4-5,7H2,1H3
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n/an/a 132n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481863
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[rac-(1S,...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4CC[C@@H](C4)c4ccccc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H20N6O3/c1-24-11-21-18-17(24)19(27)25(12-22-18)10-16-23-26(20(28)29-16)15-8-7-14(9-15)13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3/t14-,15-/m0/s1
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n/an/a 156n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481775
PNG
(3-(4-(dimethylamino) phenethyl)-5-((7-methyl-6- ox...)
Show SMILES CN(C)c1ccc(CCn2nc(Cn3cnc4ncn(C)c4c3=O)oc2=O)cc1
Show InChI InChI=1S/C19H21N7O3/c1-23(2)14-6-4-13(5-7-14)8-9-26-19(28)29-15(22-26)10-25-12-21-17-16(18(25)27)24(3)11-20-17/h4-7,11-12H,8-10H2,1-3H3
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n/an/a 164n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481766
PNG
(4-[2-[5-[(5-methyl-4-oxo- pyrido[2,3-d]pyrimidin-3...)
Show SMILES Cc1ccnc2ncn(Cc3nn(CCc4ccc(cc4)C#N)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H16N6O3/c1-13-6-8-22-18-17(13)19(27)25(12-23-18)11-16-24-26(20(28)29-16)9-7-14-2-4-15(10-21)5-3-14/h2-6,8,12H,7,9,11H2,1H3
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n/an/a 166n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481840
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[rac-(2R)...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@H](F)c4cccc(Cl)c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H14ClFN6O3/c1-23-8-20-15-14(23)16(26)24(9-21-15)7-13-22-25(17(27)28-13)6-12(19)10-3-2-4-11(18)5-10/h2-5,8-9,12H,6-7H2,1H3/t12-/m0/s1
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n/an/a 166n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481814
PNG
(3-((4-(4-chlorophenethyl)-5- oxo-4,5-dihydro-1,3,4...)
Show SMILES Cn1cc(C#N)c2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H15ClN6O3/c1-24-9-13(8-21)16-17(24)18(27)25(11-22-16)10-15-23-26(19(28)29-15)7-6-12-2-4-14(20)5-3-12/h2-5,9,11H,6-7,10H2,1H3
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n/an/a 168n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481809
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-(3- pheny...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccccc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H18N6O3/c1-23-10-20-17-16(23)18(26)24(11-21-17)9-15-22-25(19(27)28-15)14-7-13(8-14)12-5-3-2-4-6-12/h2-6,10-11,13-14H,7-9H2,1H3/t13-,14-
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n/an/a 168n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481791
PNG
(5-[(5-methyl-4-oxo-pyrido[2,3- d]pyrimidin-3-yl)me...)
Show SMILES Cc1ccnc2ncn(Cc3nn(C[C@@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H15ClFN5O3/c1-11-6-7-22-17-16(11)18(27)25(10-23-17)9-15-24-26(19(28)29-15)8-14(21)12-2-4-13(20)5-3-12/h2-7,10,14H,8-9H2,1H3/t14-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481806
PNG
((R)-3-((6-chloro-2,3- dihydro-1H-inden-1- yl)methy...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@@H]4CCc5ccc(Cl)cc45)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17ClN6O3/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)29-15)7-12-3-2-11-4-5-13(20)6-14(11)12/h4-6,9-10,12H,2-3,7-8H2,1H3/t12-/m0/s1
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n/an/a 196n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481760
PNG
(3-(4- (difluoromethoxy)phenethyl)- 5-((7-methyl-6-...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(OC(F)F)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H16F2N6O4/c1-24-9-21-15-14(24)16(27)25(10-22-15)8-13-23-26(18(28)30-13)7-6-11-2-4-12(5-3-11)29-17(19)20/h2-5,9-10,17H,6-8H2,1H3
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n/an/a 211n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481813
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[2-(4- ph...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(cc4)-c4ccccc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C23H20N6O3/c1-27-14-24-21-20(27)22(30)28(15-25-21)13-19-26-29(23(31)32-19)12-11-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,14-15H,11-13H2,1H3
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n/an/a 251n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481771
PNG
(3-(4-chlorophenethyl)-5- ((5,7-dimethyl-4- oxoimid...)
Show SMILES Cc1nc(C)n2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H17ClN6O3/c1-11-16-17(26)23(10-20-25(16)12(2)21-11)9-15-22-24(18(27)28-15)8-7-13-3-5-14(19)6-4-13/h3-6,10H,7-9H2,1-2H3
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n/an/a 265n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481769
PNG
(3-(4-methoxyphenethyl)-5- ((7-methyl-6-oxo-6H-puri...)
Show SMILES COc1ccc(CCn2nc(Cn3cnc4ncn(C)c4c3=O)oc2=O)cc1
Show InChI InChI=1S/C18H18N6O4/c1-22-10-19-16-15(22)17(25)23(11-20-16)9-14-21-24(18(26)28-14)8-7-12-3-5-13(27-2)6-4-12/h3-6,10-11H,7-9H2,1-2H3
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n/an/a 278n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481779
PNG
(3-(2-(5-chlorothiophen-2- yl)ethyl)-5-((7-methyl-6...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(Cl)s4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C15H13ClN6O3S/c1-20-7-17-13-12(20)14(23)21(8-18-13)6-11-19-22(15(24)25-11)5-4-9-2-3-10(16)26-9/h2-3,7-8H,4-6H2,1H3
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n/an/a 286n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481795
PNG
(5-[(7-methyl-6-oxo-purin-1- yl)methyl]-3-[(2S)-2-f...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@@H](F)c4ccc5ccccc5c4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C21H17FN6O3/c1-26-11-23-19-18(26)20(29)27(12-24-19)10-17-25-28(21(30)31-17)9-16(22)15-7-6-13-4-2-3-5-14(13)8-15/h2-8,11-12,16H,9-10H2,1H3/t16-/m1/s1
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n/an/a 332n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481782
PNG
(7-methyl-1-([5-oxo-4-[2-(3- phenylphenyl)ethyl]-4,...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4cccc(c4)-c4ccccc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C23H20N6O3/c1-27-14-24-21-20(27)22(30)28(15-25-21)13-19-26-29(23(31)32-19)11-10-16-6-5-9-18(12-16)17-7-3-2-4-8-17/h2-9,12,14-15H,10-11,13H2,1H3
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n/an/a 338n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481774
PNG
(3-(4-cyclopropylphenethyl)- 5-((7-methyl-6-oxo-6H-...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(cc4)C4CC4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C20H20N6O3/c1-24-11-21-18-17(24)19(27)25(12-22-18)10-16-23-26(20(28)29-16)9-8-13-2-4-14(5-3-13)15-6-7-15/h2-5,11-12,15H,6-10H2,1H3
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n/an/a 356n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481799
PNG
(3-(4-chloro-2-fluorophenethyl)- 5-((7-methyl-6-oxo...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(Cl)cc4F)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H14ClFN6O3/c1-23-8-20-15-14(23)16(26)24(9-21-15)7-13-22-25(17(27)28-13)5-4-10-2-3-11(18)6-12(10)19/h2-3,6,8-9H,4-5,7H2,1H3
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n/an/a 492n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481776
PNG
(3-(4-(difluoromethyl) phenethyl)-5-((7-methyl-6- o...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(cc4)C(F)F)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H16F2N6O3/c1-24-9-21-16-14(24)17(27)25(10-22-16)8-13-23-26(18(28)29-13)7-6-11-2-4-12(5-3-11)15(19)20/h2-5,9-10,15H,6-8H2,1H3
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US Patent
n/an/a 509n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481767
PNG
(5-((7-methyl-6-oxo-6H- purin-1(7H)-yl)methyl)-3- (...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(cc4)C(F)(F)F)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H15F3N6O3/c1-25-9-22-15-14(25)16(28)26(10-23-15)8-13-24-27(17(29)30-13)7-6-11-2-4-12(5-3-11)18(19,20)21/h2-5,9-10H,6-8H2,1H3
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US Patent
n/an/a 582n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481784
PNG
(7-([4-[2-(4- chlorophenyl)ethyl]-5-oxo- 4,5-dihydr...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(Cl)cc4)c(=O)o3)c2c1=O
Show InChI InChI=1S/C17H15ClN6O3/c1-22-9-19-15-14(16(22)25)23(10-20-15)8-13-21-24(17(26)27-13)7-6-11-2-4-12(18)5-3-11/h2-5,9-10H,6-8H2,1H3
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n/an/a 737n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481826
PNG
(3-[3-(4- chlorophenoxy)cyclobutyl]-5- [(7-methyl-6...)
Show SMILES Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)Oc4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C19H17ClN6O4/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)30-15)12-6-14(7-12)29-13-4-2-11(20)3-5-13/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
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n/an/a 785n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481778
PNG
((R)-3-(2-(4- chlorophenyl)propyl)-5-((7- methyl-6-...)
Show SMILES C[C@@H](Cn1nc(Cn2cnc3ncn(C)c3c2=O)oc1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN6O3/c1-11(12-3-5-13(19)6-4-12)7-25-18(27)28-14(22-25)8-24-10-21-16-15(17(24)26)23(2)9-20-16/h3-6,9-11H,7-8H2,1-2H3/t11-/m0/s1
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n/an/a 812n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481762
PNG
(5-((7-methyl-6-oxo-6H-purin- 1(7H)-yl)methyl)-3-ph...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccccc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H16N6O3/c1-21-10-18-15-14(21)16(24)22(11-19-15)9-13-20-23(17(25)26-13)8-7-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3
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US Patent
n/an/a 1.06E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481763
PNG
(4-(2-(5-((7-methyl-6-oxo- 6H-purin-1(7H)-yl)methyl...)
Show SMILES Cn1cnc2ncn(Cc3nn(CCc4ccc(cc4)C#N)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C18H15N7O3/c1-23-10-20-16-15(23)17(26)24(11-21-16)9-14-22-25(18(27)28-14)7-6-12-2-4-13(8-19)5-3-12/h2-5,10-11H,6-7,9H2,1H3
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n/an/a 1.17E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481803
PNG
((S)-3-(2-(4-bromophenyl)-2- fluoroethyl)-5-((7-met...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@@H](F)c4ccc(Br)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H14BrFN6O3/c1-23-8-20-15-14(23)16(26)24(9-21-15)7-13-22-25(17(27)28-13)6-12(19)10-2-4-11(18)5-3-10/h2-5,8-9,12H,6-7H2,1H3/t12-/m1/s1
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US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM481773
PNG
((S)-3-(2-(4-chlorophenyl)-2- fluoroethyl)-5-((7-me...)
Show SMILES Cn1cnc2ncn(Cc3nn(C[C@@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show InChI InChI=1S/C17H14ClFN6O3/c1-23-8-20-15-14(23)16(26)24(9-21-15)7-13-22-25(17(27)28-13)6-12(19)10-2-4-11(18)5-3-10/h2-5,8-9,12H,6-7H2,1H3/t12-/m1/s1
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n/an/a 3.83E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...


US Patent US10913742 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%