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Patent code US10597383

Compile Data Set for Download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437915
PNG
((2S)-3-(5-fluorobenzofuran-2- yl)sulfonyl-N-[[5-fl...)
Show SMILES Fc1ccc2oc(cc2c1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(c(F)cn1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H18F5N5O4S/c26-15-1-2-20-12(3-15)6-21(39-20)40(37,38)35-17-4-13(5-17)22(35)23(36)32-10-16-7-18(19(27)11-31-16)14-8-33-24(34-9-14)25(28,29)30/h1-3,6-9,11,13,17,22H,4-5,10H2,(H,32,36)/t13?,17?,22-/m0/s1
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n/an/a 1.08n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437925
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[2- (trifluoro...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(nc(n1)C(F)(F)F)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H17F7N6O3S/c24-13-1-3-16(4-2-13)40(38,39)36-15-5-11(6-15)18(36)19(37)31-10-14-7-17(35-21(34-14)23(28,29)30)12-8-32-20(33-9-12)22(25,26)27/h1-4,7-9,11,15,18H,5-6,10H2,(H,31,37)/t11?,15?,18-/m0/s1
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n/an/a 1.18n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437848
PNG
((2S)-N-[[5-chloro-2-[2- (trifluoromethyl)pyrimidin...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1Cl)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H17ClF5N5O3S/c24-16-10-30-19(13-8-32-22(33-9-13)23(27,28)29)5-12(16)7-31-21(35)20-11-3-14(4-11)34(20)38(36,37)15-1-2-17(25)18(26)6-15/h1-2,5-6,8-11,14,20H,3-4,7H2,(H,31,35)/t11?,14?,20-/m0/s1
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n/an/a 1.55n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437932
PNG
((2S)-3-(5-fluorobenzofuran-2- yl)sulfonyl-N-[[5- (...)
Show SMILES Fc1ccc2oc(cc2c1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H18F7N5O4S/c27-16-1-2-20-12(3-16)7-21(42-20)43(40,41)38-17-4-13(5-17)22(38)23(39)35-8-14-6-19(34-11-18(14)25(28,29)30)15-9-36-24(37-10-15)26(31,32)33/h1-3,6-7,9-11,13,17,22H,4-5,8H2,(H,35,39)/t13?,17?,22-/m0/s1
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n/an/a 1.85n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437842
PNG
((2S)-N-[[2-cyclopropyl-6-[2- (trifluoromethyl)pyri...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(nc(n1)C1CC1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H22F4N6O3S/c26-16-3-5-19(6-4-16)39(37,38)35-18-7-14(8-18)21(35)23(36)30-12-17-9-20(34-22(33-17)13-1-2-13)15-10-31-24(32-11-15)25(27,28)29/h3-6,9-11,13-14,18,21H,1-2,7-8,12H2,(H,30,36)/t14?,18?,21-/m0/s1
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n/an/a 2.15n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437894
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[5- (trifluoro...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H18F7N5O3S/c25-15-1-3-17(4-2-15)40(38,39)36-16-5-12(6-16)20(36)21(37)33-8-13-7-19(32-11-18(13)23(26,27)28)14-9-34-22(35-10-14)24(29,30)31/h1-4,7,9-12,16,20H,5-6,8H2,(H,33,37)/t12?,16?,20-/m0/s1
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n/an/a 2.61n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437854
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[5- (trifluoro...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1OC(F)(F)F)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H18F7N5O4S/c25-15-1-3-17(4-2-15)41(38,39)36-16-5-12(6-16)20(36)21(37)33-8-13-7-18(32-11-19(13)40-24(29,30)31)14-9-34-22(35-10-14)23(26,27)28/h1-4,7,9-12,16,20H,5-6,8H2,(H,33,37)/t12?,16?,20-/m0/s1
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n/an/a 2.77n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437955
PNG
((2S)-N-[[2-cyclopropyl-6-[2- (trifluoromethyl)pyri...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(nc(c1)-c1cnc(nc1)C(F)(F)F)C1CC1
Show InChI InChI=1S/C26H23F4N5O3S/c27-18-3-5-20(6-4-18)39(37,38)35-19-9-16(10-19)23(35)24(36)31-11-14-7-21(15-1-2-15)34-22(8-14)17-12-32-25(33-13-17)26(28,29)30/h3-8,12-13,15-16,19,23H,1-2,9-11H2,(H,31,36)/t16?,19?,23-/m0/s1
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n/an/a 3.55n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437851
PNG
((2S)-N-[[5-bromo-2-[2- (trifluoromethyl)pyrimidin-...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1Br)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H18BrF4N5O3S/c24-18-11-29-19(14-9-31-22(32-10-14)23(26,27)28)7-13(18)8-30-21(34)20-12-5-16(6-12)33(20)37(35,36)17-3-1-15(25)2-4-17/h1-4,7,9-12,16,20H,5-6,8H2,(H,30,34)/t12?,16?,20-/m0/s1
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n/an/a 3.82n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437976
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[2- (2,2,2-tri...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(nc(OCC(F)(F)F)n1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H19F7N6O4S/c25-14-1-3-17(4-2-14)42(39,40)37-16-5-12(6-16)19(37)20(38)32-10-15-7-18(36-22(35-15)41-11-23(26,27)28)13-8-33-21(34-9-13)24(29,30)31/h1-4,7-9,12,16,19H,5-6,10-11H2,(H,32,38)/t12?,16?,19-/m0/s1
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n/an/a 4.24n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437802
PNG
((2S)-N-[[2-chloro-6-[2- (trifluoromethyl)pyrimidin...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(Cl)nc(c1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF4N5O3S/c24-19-6-12(5-18(32-19)14-10-30-22(31-11-14)23(26,27)28)9-29-21(34)20-13-7-16(8-13)33(20)37(35,36)17-3-1-15(25)2-4-17/h1-6,10-11,13,16,20H,7-9H2,(H,29,34)/t13?,16?,20-/m0/s1
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n/an/a 4.64n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437920
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[3- (trifluoro...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cn(nc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H17F7N6O3S/c23-13-1-3-16(4-2-13)39(37,38)35-14-5-11(6-14)17(35)19(36)30-7-12-10-34(33-18(12)21(24,25)26)15-8-31-20(32-9-15)22(27,28)29/h1-4,8-11,14,17H,5-7H2,(H,30,36)/t11?,14?,17-/m0/s1
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n/an/a 4.84n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437862
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[2- fluoro-5-[...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ccc1F)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H20F5N3O3S/c26-18-3-5-20(6-4-18)37(35,36)33-19-10-16(11-19)23(33)24(34)32-13-17-9-14(1-7-21(17)27)15-2-8-22(31-12-15)25(28,29)30/h1-9,12,16,19,23H,10-11,13H2,(H,32,34)/t16?,19?,23-/m0/s1
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n/an/a 6.06n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437845
PNG
((2S)-N-[[5-chloro-4-[2- (trifluoromethyl)pyrimidin...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1Cl)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF4N5O3S/c24-18-11-29-19(14-9-31-22(32-10-14)23(26,27)28)7-13(18)8-30-21(34)20-12-5-16(6-12)33(20)37(35,36)17-3-1-15(25)2-4-17/h1-4,7,9-12,16,20H,5-6,8H2,(H,30,34)/t12?,16?,20-/m0/s1
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n/an/a 6.08n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437886
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[3- fluoro-5-[...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(F)cc(c1)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H20F5N3O3S/c26-18-2-4-21(5-3-18)37(35,36)33-20-10-17(11-20)23(33)24(34)32-12-14-7-16(9-19(27)8-14)15-1-6-22(31-13-15)25(28,29)30/h1-9,13,17,20,23H,10-12H2,(H,32,34)/t17?,20?,23-/m0/s1
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n/an/a 6.11n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437935
PNG
((2S)-N-[[6-cyclopropyl-4-[2- (trifluoromethyl)pyri...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(cc(n1)C1CC1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H23F4N5O3S/c27-18-3-5-21(6-4-18)39(37,38)35-20-8-16(9-20)23(35)24(36)31-13-19-7-15(10-22(34-19)14-1-2-14)17-11-32-25(33-12-17)26(28,29)30/h3-7,10-12,14,16,20,23H,1-2,8-9,13H2,(H,31,36)/t16?,20?,23-/m0/s1
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n/an/a 7.24n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437885
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[3- fluoro-5-[...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(F)cc(c1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H19F5N4O3S/c25-17-1-3-20(4-2-17)37(35,36)33-19-8-15(9-19)21(33)22(34)30-10-13-5-14(7-18(26)6-13)16-11-31-23(32-12-16)24(27,28)29/h1-7,11-12,15,19,21H,8-10H2,(H,30,34)/t15?,19?,21-/m0/s1
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n/an/a 8.97n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437908
PNG
((2S)-N-[[5-(difluoromethyl)-2- [2-(trifluoromethyl...)
Show SMILES FC(F)c1cnc(cc1CNC(=O)[C@@H]1C2CC(C2)N1S(=O)(=O)c1ccc(F)c(F)c1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H18F7N5O3S/c25-17-2-1-15(6-18(17)26)40(38,39)36-14-3-11(4-14)20(36)22(37)33-7-12-5-19(32-10-16(12)21(27)28)13-8-34-23(35-9-13)24(29,30)31/h1-2,5-6,8-11,14,20-21H,3-4,7H2,(H,33,37)/t11?,14?,20-/m0/s1
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n/an/a 9.01n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437855
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[2- fluoro-5-[...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ccc1F)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H19F5N4O3S/c25-17-2-4-19(5-3-17)37(35,36)33-18-8-14(9-18)21(33)22(34)30-10-15-7-13(1-6-20(15)26)16-11-31-23(32-12-16)24(27,28)29/h1-7,11-12,14,18,21H,8-10H2,(H,30,34)/t14?,18?,21-/m0/s1
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n/an/a 9.89n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437896
PNG
((2S)-N-[[5-(difluoromethyl)-2- [2-(trifluoromethyl...)
Show SMILES FC(F)c1cnc(cc1CNC(=O)[C@@H]1C2CC(C2)N1S(=O)(=O)c1ccc(F)cc1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H19F6N5O3S/c25-15-1-3-17(4-2-15)39(37,38)35-16-5-12(6-16)20(35)22(36)32-8-13-7-19(31-11-18(13)21(26)27)14-9-33-23(34-10-14)24(28,29)30/h1-4,7,9-12,16,20-21H,5-6,8H2,(H,32,36)/t12?,16?,20-/m0/s1
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n/an/a 9.92n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437913
PNG
((2S)-3-(3,4- difluorophenyl)sulfonyl-N-[[5- fluoro...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(c(F)cn1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H17F6N5O3S/c24-17-2-1-15(6-18(17)25)38(36,37)34-14-3-11(4-14)20(34)21(35)31-9-13-5-16(19(26)10-30-13)12-7-32-22(33-8-12)23(27,28)29/h1-2,5-8,10-11,14,20H,3-4,9H2,(H,31,35)/t11?,14?,20-/m0/s1
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n/an/a 10.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437790
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N- [[5-fluoro-2-[...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1F)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H18F5N5O3S/c24-15-1-3-17(4-2-15)37(35,36)33-16-5-12(6-16)20(33)21(34)30-8-13-7-19(29-11-18(13)25)14-9-31-22(32-10-14)23(26,27)28/h1-4,7,9-12,16,20H,5-6,8H2,(H,30,34)/t12?,16?,20-/m0/s1
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n/an/a 11.3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437917
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[2- (trifluoro...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(cnc1C(F)(F)F)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H18F7N5O3S/c25-16-1-3-18(4-2-16)40(38,39)36-17-6-12(7-17)19(36)21(37)33-9-14-5-13(8-32-20(14)23(26,27)28)15-10-34-22(35-11-15)24(29,30)31/h1-5,8,10-12,17,19H,6-7,9H2,(H,33,37)/t12?,17?,19-/m0/s1
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n/an/a 12.1n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437881
PNG
((2S)-N-[[2-fluoro-5-[2-methyl- 5-(trifluoromethyl)...)
Show SMILES Cn1nc(cc1-c1ccc(F)c(CNC(=O)[C@@H]2C3CC(C3)N2S(=O)(=O)c2ccc(F)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F5N4O3S/c1-32-20(11-21(31-32)24(27,28)29)13-2-7-19(26)15(8-13)12-30-23(34)22-14-9-17(10-14)33(22)37(35,36)18-5-3-16(25)4-6-18/h2-8,11,14,17,22H,9-10,12H2,1H3,(H,30,34)/t14?,17?,22-/m0/s1
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n/an/a 15.7n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437837
PNG
((2S)-N-[[5-cyano-2-[2- (trifluoromethyl)pyrimidin-...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1C#N)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H18F4N6O3S/c25-17-1-3-19(4-2-17)38(36,37)34-18-5-13(6-18)21(34)22(35)31-9-14-7-20(30-10-15(14)8-29)16-11-32-23(33-12-16)24(26,27)28/h1-4,7,10-13,18,21H,5-6,9H2,(H,31,35)/t13?,18?,21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437892
PNG
((2S)-N-[[5-cyclopropyl-2-[2- (trifluoromethyl)pyri...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncc1C1CC1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H23F4N5O3S/c27-18-3-5-20(6-4-18)39(37,38)35-19-7-15(8-19)23(35)24(36)32-10-16-9-22(31-13-21(16)14-1-2-14)17-11-33-25(34-12-17)26(28,29)30/h3-6,9,11-15,19,23H,1-2,7-8,10H2,(H,32,36)/t15?,19?,23-/m0/s1
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n/an/a 16.3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437816
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[5- fluoro-4-[...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(c(F)cn1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H18F5N5O3S/c24-14-1-3-17(4-2-14)37(35,36)33-16-5-12(6-16)20(33)21(34)30-10-15-7-18(19(25)11-29-15)13-8-31-22(32-9-13)23(26,27)28/h1-4,7-9,11-12,16,20H,5-6,10H2,(H,30,34)/t12?,16?,20-/m0/s1
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n/an/a 16.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437840
PNG
((2S)-N-[[2-cyano-5-[2- (trifluoromethyl)pyrimidin-...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ccc1C#N)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C25H19F4N5O3S/c26-19-3-5-21(6-4-19)38(36,37)34-20-8-16(9-20)22(34)23(35)31-11-17-7-14(1-2-15(17)10-30)18-12-32-24(33-13-18)25(27,28)29/h1-7,12-13,16,20,22H,8-9,11H2,(H,31,35)/t16?,20?,22-/m0/s1
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n/an/a 17.1n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437959
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[3- methoxy-1-...)
Show SMILES COc1nn(cc1CNC(=O)[C@@H]1C2CC(C2)N1S(=O)(=O)c1ccc(F)cc1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H20F4N6O4S/c1-36-20-13(11-31(30-20)16-9-28-21(29-10-16)22(24,25)26)8-27-19(33)18-12-6-15(7-12)32(18)37(34,35)17-4-2-14(23)3-5-17/h2-5,9-12,15,18H,6-8H2,1H3,(H,27,33)/t12?,15?,18-/m0/s1
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n/an/a 19.1n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437817
PNG
((2S)-N-[[5-chloro-4-[2- (trifluoromethyl)pyrimidin...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(c(Cl)cn1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF4N5O3S/c24-19-11-29-15(7-18(19)13-8-31-22(32-9-13)23(26,27)28)10-30-21(34)20-12-5-16(6-12)33(20)37(35,36)17-3-1-14(25)2-4-17/h1-4,7-9,11-12,16,20H,5-6,10H2,(H,30,34)/t12?,16?,20-/m0/s1
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n/an/a 20.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437794
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[6- [6-(triflu...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H19F4N5O3S/c24-15-2-4-18(5-3-15)36(34,35)32-17-7-14(8-17)21(32)22(33)29-11-16-9-19(31-12-30-16)13-1-6-20(28-10-13)23(25,26)27/h1-6,9-10,12,14,17,21H,7-8,11H2,(H,29,33)/t14?,17?,21-/m0/s1
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n/an/a 24.8n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437888
PNG
((2S)-N-[[3-fluoro-5-[2-methyl- 5-(trifluoromethyl)...)
Show SMILES Cn1nc(cc1-c1cc(F)cc(CNC(=O)[C@@H]2C3CC(C3)N2S(=O)(=O)c2ccc(F)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C24H21F5N4O3S/c1-32-20(11-21(31-32)24(27,28)29)14-6-13(7-17(26)8-14)12-30-23(34)22-15-9-18(10-15)33(22)37(35,36)19-4-2-16(25)3-5-19/h2-8,11,15,18,22H,9-10,12H2,1H3,(H,30,34)/t15?,18?,22-/m0/s1
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n/an/a 27.6n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437801
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[2- [2-(triflu...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1ccnc(c1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H19F4N5O3S/c24-16-1-3-18(4-2-16)36(34,35)32-17-8-14(9-17)20(32)21(33)29-10-13-5-6-28-19(7-13)15-11-30-22(31-12-15)23(25,26)27/h1-7,11-12,14,17,20H,8-10H2,(H,29,33)/t14?,17?,20-/m0/s1
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n/an/a 36.4n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437782
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N- [[6-[2- (trifl...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1C2CC(C2)[C@H]1C(=O)NCc1cc(ncn1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N6O3S/c23-14-1-3-17(4-2-14)36(34,35)32-16-5-12(6-16)19(32)20(33)27-10-15-7-18(31-11-30-15)13-8-28-21(29-9-13)22(24,25)26/h1-4,7-9,11-12,16,19H,5-6,10H2,(H,27,33)/t12?,16?,19-/m0/s1
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n/an/a 42.9n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

More data for this
Ligand-Target Pair
hTRPA1


(Homo sapiens (Human)-Rattus norvegicus)
BDBM437847
PNG
((2S)-3-(4- fluorophenyl)sulfonyl-N-[[5- fluoro-4-[...)
Show SMILES CC12CC(C1)[C@H](N2S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(c(F)cn1)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H20F5N5O3S/c1-23-7-13(8-23)20(34(23)38(36,37)17-4-2-15(25)3-5-17)21(35)31-11-16-6-18(19(26)12-30-16)14-9-32-22(33-10-14)24(27,28)29/h2-6,9-10,12-13,20H,7-8,11H2,1H3,(H,31,35)/t13?,20-,23?/m0/s1
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n/an/a 90.2n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US10597383 (2020)

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