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Patent code US10947252

Compile Data Set for Download or QSAR

Found 558 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
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486590
PNG
(US10947252, Example 23)
Show SMILES Cc1ccc(cc1CN1C[C@@H]2COCCN2c2ncccc2S1(=O)=O)C(CC(O)=O)c1ccc2n(nnc2c1C)C1CC1
Show InChI InChI=1S/C31H34N6O5S/c1-19-5-6-21(26(15-29(38)39)25-9-10-27-30(20(25)2)33-34-37(27)23-7-8-23)14-22(19)16-35-17-24-18-42-13-12-36(24)31-28(43(35,40)41)4-3-11-32-31/h3-6,9-11,14,23-24,26H,7-8,12-13,15-18H2,1-2H3,(H,38,39)/t24-,26?/m1/s1
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n/an/an/a 0.278n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486607
PNG
(US10947252, Example 42)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2ncccc2S1(=O)=O)[C@H](c1ccn2c(nnc2c1C)C1CC1)C(C)(C)C(O)=O
Show InChI InChI=1S/C34H39N5O6S/c1-21-7-8-24(28(33(3,4)32(40)41)26-11-15-39-29(22(26)2)36-37-30(39)23-9-10-23)18-25(21)19-38-20-34(12-16-44-17-13-34)45-31-27(46(38,42)43)6-5-14-35-31/h5-8,11,14-15,18,23,28H,9-10,12-13,16-17,19-20H2,1-4H3,(H,40,41)/t28-/m1/s1
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n/an/an/a 7.54E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486611
PNG
(US10947252, Example 47)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(OCCN3CCOCC3)ccc2S1(=O)=O)[C@@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C38H45F3N6O8S/c1-24-5-6-26(31(36(3,4)35(48)49)28-9-12-47-32(25(28)2)43-44-34(47)38(39,40)41)21-27(24)22-46-23-37(10-16-52-17-11-37)55-33-29(56(46,50)51)7-8-30(42-33)54-20-15-45-13-18-53-19-14-45/h5-9,12,21,31H,10-11,13-20,22-23H2,1-4H3,(H,48,49)/t31-/m0/s1
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n/an/an/a<1n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486617
PNG
(US10947252, Example 53)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2ncccc2S1(=O)=O)[C@@H](c1ccn2c(nnc2c1C)C(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C32H35F2N5O6S/c1-19-7-8-21(25(31(3,4)30(40)41)23-9-13-39-27(20(23)2)36-37-28(39)26(33)34)16-22(19)17-38-18-32(10-14-44-15-11-32)45-29-24(46(38,42)43)6-5-12-35-29/h5-9,12-13,16,25-26H,10-11,14-15,17-18H2,1-4H3,(H,40,41)/t25-/m0/s1
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n/an/an/a<1n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486625
PNG
(US10947252, Example 61)
Show SMILES CCn1nnc2c(C)c(ccc12)C(c1cnc(C)c(CN2CC3(CCOCC3)Oc3ncc(C)cc3S2(=O)=O)c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C33H40N6O6S/c1-7-39-26-9-8-25(21(3)29(26)36-37-39)28(32(5,6)31(40)41)23-15-24(22(4)34-17-23)18-38-19-33(10-12-44-13-11-33)45-30-27(46(38,42)43)14-20(2)16-35-30/h8-9,14-17,28H,7,10-13,18-19H2,1-6H3,(H,40,41)
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n/an/an/a<1n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486626
PNG
(US10947252, Example 62)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](c1cnc(C)c(CN2CC3(CCOCC3)Oc3ncc(C)cc3S2(=O)=O)c1)C(C)(C)C(O)=O
Show InChI InChI=1S/C33H40N6O6S/c1-7-39-26-9-8-25(21(3)29(26)36-37-39)28(32(5,6)31(40)41)23-15-24(22(4)34-17-23)18-38-19-33(10-12-44-13-11-33)45-30-27(46(38,42)43)14-20(2)16-35-30/h8-9,14-17,28H,7,10-13,18-19H2,1-6H3,(H,40,41)/t28-/m1/s1
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n/an/an/a<1n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486629
PNG
(US10947252, Example 65)
Show SMILES Cc1ccc(cc1CN1CC2CCCN2c2ncccc2S1(=O)=O)C(CC(O)=O)c1ccc2n(CC3CC3)nnc2c1C(F)F
Show InChI InChI=1S/C32H34F2N6O4S/c1-19-6-9-21(14-22(19)17-38-18-23-4-3-13-39(23)32-27(45(38,43)44)5-2-12-35-32)25(15-28(41)42)24-10-11-26-30(29(24)31(33)34)36-37-40(26)16-20-7-8-20/h2,5-6,9-12,14,20,23,25,31H,3-4,7-8,13,15-18H2,1H3,(H,41,42)
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n/an/an/a 2.5n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486642
PNG
(US10947252, Example 75)
Show SMILES CN1c2ncccc2S(=O)(=O)N(Cc2cc(ccc2C)C(CC(O)=O)c2ccc3n(CC4CC4)nnc3c2C)CC11CC1
Show InChI InChI=1S/C32H36N6O4S/c1-20-6-9-23(26(16-29(39)40)25-10-11-27-30(21(25)2)34-35-38(27)17-22-7-8-22)15-24(20)18-37-19-32(12-13-32)36(3)31-28(43(37,41)42)5-4-14-33-31/h4-6,9-11,14-15,22,26H,7-8,12-13,16-19H2,1-3H3,(H,39,40)
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n/an/an/a<1n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486646
PNG
(US10947252, Example 80)
Show SMILES Cc1ccc(cc1CN1C[C@@]2(C)CCCN2c2ncccc2S1(=O)=O)C(CC(O)=O)c1ccc2n(CC3CC3)nnc2c1C
Show InChI InChI=1S/C33H38N6O4S/c1-21-7-10-24(27(17-30(40)41)26-11-12-28-31(22(26)2)35-36-39(28)18-23-8-9-23)16-25(21)19-37-20-33(3)13-5-15-38(33)32-29(44(37,42)43)6-4-14-34-32/h4,6-7,10-12,14,16,23,27H,5,8-9,13,15,17-20H2,1-3H3,(H,40,41)/t27?,33-/m1/s1
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n/an/an/a 8n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486653
PNG
(US10947252, Example 87)
Show SMILES Cc1c(ccn2c(nnc12)C(F)(F)F)[C@H](CC(O)=O)c1ccc(Cl)c(CN2CC3(COC3)Oc3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C27H23ClF3N5O6S/c1-15-18(6-8-36-23(15)33-34-25(36)27(29,30)31)19(10-22(37)38)16-4-5-20(28)17(9-16)11-35-12-26(13-41-14-26)42-24-21(43(35,39)40)3-2-7-32-24/h2-9,19H,10-14H2,1H3,(H,37,38)/t19-/m1/s1
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n/an/an/a 1.30n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486663
PNG
(US10947252, Example 99)
Show SMILES Cc1ccc(cc1CN1CC2(COC2)Oc2ccc(F)cc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C29H26F4N4O6S/c1-16-3-4-18(22(11-25(38)39)21-7-8-37-26(17(21)2)34-35-27(37)29(31,32)33)9-19(16)12-36-13-28(14-42-15-28)43-23-6-5-20(30)10-24(23)44(36,40)41/h3-10,22H,11-15H2,1-2H3,(H,38,39)/t22-/m0/s1
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n/an/an/a<1n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486682
PNG
(US10947252, Example 122)
Show SMILES C[C@@H](CCO)Nc1ccc2c(OC3(CCOCC3)CN(Cc3cc(ccc3C)[C@H](c3ccn4c(nnc4c3C)C(F)(F)F)C(C)(C)C(O)=O)S2(=O)=O)n1
Show InChI InChI=1S/C36H43F3N6O7S/c1-21-6-7-24(29(34(4,5)33(47)48)26-10-14-45-30(23(26)3)42-43-32(45)36(37,38)39)18-25(21)19-44-20-35(12-16-51-17-13-35)52-31-27(53(44,49)50)8-9-28(41-31)40-22(2)11-15-46/h6-10,14,18,22,29,46H,11-13,15-17,19-20H2,1-5H3,(H,40,41)(H,47,48)/t22-,29+/m0/s1
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n/an/an/a 8.93E+3n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486683
PNG
(US10947252, Example 123)
Show SMILES C[C@@H](CCO)Nc1nc2OC3(CCOCC3)CN(Cc3cc(ccc3C)[C@H](c3ccn4c(nnc4c3C)C(F)(F)F)C(C)(C)C(O)=O)S(=O)(=O)c2cc1C
Show InChI InChI=1S/C37H45F3N6O7S/c1-21-7-8-25(29(35(5,6)34(48)49)27-9-13-46-31(24(27)4)43-44-33(46)37(38,39)40)18-26(21)19-45-20-36(11-15-52-16-12-36)53-32-28(54(45,50)51)17-22(2)30(42-32)41-23(3)10-14-47/h7-9,13,17-18,23,29,47H,10-12,14-16,19-20H2,1-6H3,(H,41,42)(H,48,49)/t23-,29+/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486687
PNG
(US10947252, Example 127)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(OCCN3CCCCC3)ccc2S1(=O)=O)[C@@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C39H47F3N6O7S/c1-25-8-9-27(32(37(3,4)36(49)50)29-12-17-48-33(26(29)2)44-45-35(48)39(40,41)42)22-28(25)23-47-24-38(13-19-53-20-14-38)55-34-30(56(47,51)52)10-11-31(43-34)54-21-18-46-15-6-5-7-16-46/h8-12,17,22,32H,5-7,13-16,18-21,23-24H2,1-4H3,(H,49,50)/t32-/m0/s1
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n/an/an/a<1n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486695
PNG
(US10947252, Example 138)
Show SMILES CCn1nnc2c(C)c(ccc12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H]3COCCN3c3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C30H34N6O5S/c1-4-36-26-10-9-24(20(3)29(26)32-33-36)25(15-28(37)38)21-8-7-19(2)22(14-21)16-34-17-23-18-41-13-12-35(23)30-27(42(34,39)40)6-5-11-31-30/h5-11,14,23,25H,4,12-13,15-18H2,1-3H3,(H,37,38)/t23-,25?/m1/s1
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n/an/an/a<1n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486713
PNG
(US10947252, Example 156)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H]3CCCN3c3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C30H34N6O4S/c1-4-36-26-12-11-24(20(3)29(26)32-33-36)25(16-28(37)38)21-10-9-19(2)22(15-21)17-34-18-23-7-6-14-35(23)30-27(41(34,39)40)8-5-13-31-30/h5,8-13,15,23,25H,4,6-7,14,16-18H2,1-3H3,(H,37,38)/t23-,25-/m0/s1
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n/an/an/a 2.10n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486719
PNG
(US10947252, Example 162)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccn3c(C)nnc3c2)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C27H29N5O5S/c1-4-22-16-31(38(35,36)24-6-5-10-28-27(24)37-22)15-21-12-19(8-7-17(21)2)23(14-26(33)34)20-9-11-32-18(3)29-30-25(32)13-20/h5-13,22-23H,4,14-16H2,1-3H3,(H,33,34)/t22-,23?/m1/s1
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n/an/an/a<1n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486744
PNG
(US10947252, Example 188)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)C(CC(O)=O)c2ccn3c(nnc3c2C)C(F)(F)F)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C28H28F3N5O5S/c1-4-20-15-35(42(39,40)23-6-5-10-32-26(23)41-20)14-19-12-18(8-7-16(19)2)22(13-24(37)38)21-9-11-36-25(17(21)3)33-34-27(36)28(29,30)31/h5-12,20,22H,4,13-15H2,1-3H3,(H,37,38)/t20-,22?/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486750
PNG
(US10947252, Example 197)
Show SMILES Cc1ccc(cc1CN1C[C@H]2COCCN2c2ncc(Cl)cc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C29H28ClF3N6O5S/c1-16-3-4-18(23(11-25(40)41)22-5-6-39-26(17(22)2)35-36-28(39)29(31,32)33)9-19(16)13-37-14-21-15-44-8-7-38(21)27-24(45(37,42)43)10-20(30)12-34-27/h3-6,9-10,12,21,23H,7-8,11,13-15H2,1-2H3,(H,40,41)/t21-,23-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486760
PNG
(US10947252, Example 211)
Show SMILES Cc1ccc(cc1CN1C[C@H]2CCCN2c2ncccc2S1(=O)=O)[C@@H](CC(O)=O)c1ccc2n(nnc2c1C)C1CC1
Show InChI InChI=1S/C31H34N6O4S/c1-19-7-8-21(26(16-29(38)39)25-11-12-27-30(20(25)2)33-34-37(27)23-9-10-23)15-22(19)17-35-18-24-5-4-14-36(24)31-28(42(35,40)41)6-3-13-32-31/h3,6-8,11-13,15,23-24,26H,4-5,9-10,14,16-18H2,1-2H3,(H,38,39)/t24-,26-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486768
PNG
(US10947252, Example 220)
Show SMILES Cc1ccc(cc1CN1C[C@]2(C)CCCN2c2ncccc2S1(=O)=O)[C@@H](CC(O)=O)c1ccc2n(nnc2c1C)C1CC1
Show InChI InChI=1S/C32H36N6O4S/c1-20-7-8-22(26(17-29(39)40)25-11-12-27-30(21(25)2)34-35-38(27)24-9-10-24)16-23(20)18-36-19-32(3)13-5-15-37(32)31-28(43(36,41)42)6-4-14-33-31/h4,6-8,11-12,14,16,24,26H,5,9-10,13,15,17-19H2,1-3H3,(H,39,40)/t26-,32+/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486776
PNG
(US10947252, Example 229)
Show SMILES Cc1cnc2OC3(CCOCC3)CN(Cc3cc(cnc3C)[C@@H](c3ccc4n(nnc4c3C)C3CC3)C(C)(C)C(O)=O)S(=O)(=O)c2c1
Show InChI InChI=1S/C34H40N6O6S/c1-20-14-28-31(36-16-20)46-34(10-12-45-13-11-34)19-39(47(28,43)44)18-24-15-23(17-35-22(24)3)29(33(4,5)32(41)42)26-8-9-27-30(21(26)2)37-38-40(27)25-6-7-25/h8-9,14-17,25,29H,6-7,10-13,18-19H2,1-5H3,(H,41,42)/t29-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486783
PNG
((*R)-3-(1-(Cyclopropylmethyl)-4-methyl-1H-benzo[d]...)
Show SMILES Cc1ccc(cc1CN1C[C@H]2CCCCN2c2ncccc2S1(=O)=O)[C@@H](CC(O)=O)c1ccc2n(CC3CC3)nnc2c1C
Show InChI InChI=1S/C33H38N6O4S/c1-21-8-11-24(28(17-31(40)41)27-12-13-29-32(22(27)2)35-36-39(29)18-23-9-10-23)16-25(21)19-37-20-26-6-3-4-15-38(26)33-30(44(37,42)43)7-5-14-34-33/h5,7-8,11-14,16,23,26,28H,3-4,6,9-10,15,17-20H2,1-2H3,(H,40,41)/t26-,28-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486789
PNG
(US10947252, Example 240)
Show SMILES CCn1nnc2c(C)c(ccc12)C(CC(O)=O)c1ccc(C)c(CN2CC3(COC3)Oc3ncccc3S2(=O)=O)n1
Show InChI InChI=1S/C28H30N6O6S/c1-4-34-23-10-8-19(18(3)26(23)31-32-34)20(12-25(35)36)21-9-7-17(2)22(30-21)13-33-14-28(15-39-16-28)40-27-24(41(33,37)38)6-5-11-29-27/h5-11,20H,4,12-16H2,1-3H3,(H,35,36)
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486801
PNG
(US10947252, Example 250)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)[C@H](CC(O)=O)c2cc(OC(F)F)c3n(C)nnc3c2)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C28H29F2N5O6S/c1-4-20-15-35(42(38,39)24-6-5-9-31-27(24)40-20)14-19-10-17(8-7-16(19)2)21(13-25(36)37)18-11-22-26(34(3)33-32-22)23(12-18)41-28(29)30/h5-12,20-21,28H,4,13-15H2,1-3H3,(H,36,37)/t20-,21+/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486803
PNG
(US10947252, Example 251)
Show SMILES CC[C@@H]1CN(Cc2cc(ccc2C)[C@@H](CC(O)=O)c2cc(OC(F)F)c3n(C)nnc3c2)S(=O)(=O)c2cccnc2O1
Show InChI InChI=1S/C28H29F2N5O6S/c1-4-20-15-35(42(38,39)24-6-5-9-31-27(24)40-20)14-19-10-17(8-7-16(19)2)21(13-25(36)37)18-11-22-26(34(3)33-32-22)23(12-18)41-28(29)30/h5-12,20-21,28H,4,13-15H2,1-3H3,(H,36,37)/t20-,21-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486819
PNG
(US10947252, Example 267)
Show SMILES Cc1ccc(cc1CN1C[C@H]2CCCN2c2ccccc2S1(=O)=O)[C@@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O4S/c1-18-9-10-20(24(15-27(39)40)23-11-13-38-28(19(23)2)34-35-29(38)30(31,32)33)14-21(18)16-36-17-22-6-5-12-37(22)25-7-3-4-8-26(25)43(36,41)42/h3-4,7-11,13-14,22,24H,5-6,12,15-17H2,1-2H3,(H,39,40)/t22-,24-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486834
PNG
(US10947252, Example 282)
Show SMILES CCc1nnc2c(C)c(ccn12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@H]3CCCN3c3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C30H34N6O4S/c1-4-27-32-33-29-20(3)24(11-14-36(27)29)25(16-28(37)38)21-10-9-19(2)22(15-21)17-34-18-23-7-6-13-35(23)30-26(41(34,39)40)8-5-12-31-30/h5,8-12,14-15,23,25H,4,6-7,13,16-18H2,1-3H3,(H,37,38)/t23-,25+/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486829
PNG
(US10947252, Example 277 | US10947252, Example 291)
Show SMILES Cc1ccc(cc1CN1C[C@@H]2CCCCN2c2ncccc2S1(=O)=O)[C@@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6O4S/c1-18-8-9-20(24(15-26(40)41)23-10-13-39-27(19(23)2)35-36-29(39)30(31,32)33)14-21(18)16-37-17-22-6-3-4-12-38(22)28-25(44(37,42)43)7-5-11-34-28/h5,7-11,13-14,22,24H,3-4,6,12,15-17H2,1-2H3,(H,40,41)/t22-,24+/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486860
PNG
(US10947252, Example 312)
Show SMILES Cc1ccc(cc1CN1CC2CCCCN2c2ncc(cc2S1(=O)=O)C#N)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C31H30F3N7O4S/c1-18-6-7-21(25(13-27(42)43)24-8-10-41-28(19(24)2)37-38-30(41)31(32,33)34)12-22(18)16-39-17-23-5-3-4-9-40(23)29-26(46(39,44)45)11-20(14-35)15-36-29/h6-8,10-12,15,23,25H,3-5,9,13,16-17H2,1-2H3,(H,42,43)/t23?,25-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486889
PNG
(US10947252, Example 355)
Show SMILES Cc1ccc(nc1CN1CC2(CCOCC2)Oc2nc(OCCN3CCCCC3)c(C)cc2S1(=O)=O)[C@H](c1ccn2c(nnc2c1C)C(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C39H49F2N7O7S/c1-24-9-10-28(31(38(4,5)37(49)50)27-11-16-48-33(26(27)3)44-45-34(48)32(40)41)42-29(24)22-47-23-39(12-18-53-19-13-39)55-36-30(56(47,51)52)21-25(2)35(43-36)54-20-17-46-14-7-6-8-15-46/h9-11,16,21,31-32H,6-8,12-15,17-20,22-23H2,1-5H3,(H,49,50)/t31-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486893
PNG
(US10947252, Example 359)
Show SMILES Cc1ccc(nc1CN1CC2(CC2)Oc2nc(OCCN3CCCC3)c(C)cc2S1(=O)=O)[C@H](c1ccn2c(nnc2c1C)C(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C36H43F2N7O6S/c1-21-8-9-25(28(35(4,5)34(46)47)24-10-15-45-30(23(24)3)41-42-31(45)29(37)38)39-26(21)19-44-20-36(11-12-36)51-33-27(52(44,48)49)18-22(2)32(40-33)50-17-16-43-13-6-7-14-43/h8-10,15,18,28-29H,6-7,11-14,16-17,19-20H2,1-5H3,(H,46,47)/t28-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486899
PNG
(US10947252, Example 366)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(NCCN3CCNCC3)c(C)cc2S1(=O)=O)[C@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C39H49F3N8O6S/c1-24-6-7-27(31(37(4,5)36(51)52)29-8-14-50-33(26(29)3)46-47-35(50)39(40,41)42)21-28(24)22-49-23-38(9-18-55-19-10-38)56-34-30(57(49,53)54)20-25(2)32(45-34)44-13-17-48-15-11-43-12-16-48/h6-8,14,20-21,31,43H,9-13,15-19,22-23H2,1-5H3,(H,44,45)(H,51,52)/t31-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486901
PNG
(US10947252, Example 368)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(OCCN3CCNCC3)ccc2S1(=O)=O)[C@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C38H46F3N7O7S/c1-24-5-6-26(31(36(3,4)35(49)50)28-9-14-48-32(25(28)2)44-45-34(48)38(39,40)41)21-27(24)22-47-23-37(10-18-53-19-11-37)55-33-29(56(47,51)52)7-8-30(43-33)54-20-17-46-15-12-42-13-16-46/h5-9,14,21,31,42H,10-13,15-20,22-23H2,1-4H3,(H,49,50)/t31-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486910
PNG
(US10947252, Example 377)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(OCCN3CCCC3)c(C)cc2S1(=O)=O)[C@@H](c1ccn2c(nnc2c1C)C(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C39H48F2N6O7S/c1-24-8-9-27(31(38(4,5)37(48)49)29-10-15-47-33(26(29)3)43-44-34(47)32(40)41)21-28(24)22-46-23-39(11-17-52-18-12-39)54-36-30(55(46,50)51)20-25(2)35(42-36)53-19-16-45-13-6-7-14-45/h8-10,15,20-21,31-32H,6-7,11-14,16-19,22-23H2,1-5H3,(H,48,49)/t31-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486913
PNG
(US10947252, Example 380)
Show SMILES C[C@@H](CN1CCCCC1)Nc1nc2OC3(CC3)CN(Cc3cc(ccc3C)[C@H](c3ccn4c(nnc4c3C)C(F)(F)F)C(C)(C)C(O)=O)S(=O)(=O)c2cc1C
Show InChI InChI=1S/C39H48F3N7O5S/c1-23-10-11-27(31(37(5,6)36(50)51)29-12-17-49-33(26(29)4)45-46-35(49)39(40,41)42)19-28(23)21-48-22-38(13-14-38)54-34-30(55(48,52)53)18-24(2)32(44-34)43-25(3)20-47-15-8-7-9-16-47/h10-12,17-19,25,31H,7-9,13-16,20-22H2,1-6H3,(H,43,44)(H,50,51)/t25-,31+/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486915
PNG
(US10947252, Example 382)
Show SMILES Cc1ccc(cc1CN1C[C@@]2(CCOC2)Oc2ncccc2S1(=O)=O)[C@@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C31H32F3N5O6S/c1-18-7-8-20(24(29(3,4)28(40)41)22-9-12-39-25(19(22)2)36-37-27(39)31(32,33)34)14-21(18)15-38-16-30(10-13-44-17-30)45-26-23(46(38,42)43)6-5-11-35-26/h5-9,11-12,14,24H,10,13,15-17H2,1-4H3,(H,40,41)/t24-,30+/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486918
PNG
(US10947252, Example 385)
Show SMILES Cc1ccc(cc1CN1C[C@]2(CCOC2)Oc2ncccc2S1(=O)=O)[C@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C31H32F3N5O6S/c1-18-7-8-20(24(29(3,4)28(40)41)22-9-12-39-25(19(22)2)36-37-27(39)31(32,33)34)14-21(18)15-38-16-30(10-13-44-17-30)45-26-23(46(38,42)43)6-5-11-35-26/h5-9,11-12,14,24H,10,13,15-17H2,1-4H3,(H,40,41)/t24-,30+/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486921
PNG
(US10947252, Example 388)
Show SMILES Cc1cnc2O[C@]3(CCOC3)CN(Cc3cc(ccc3C)[C@H](c3ccn4c(nnc4c3C)C(F)(F)F)C(C)(C)C(O)=O)S(=O)(=O)c2c1
Show InChI InChI=1S/C32H34F3N5O6S/c1-18-12-24-27(36-14-18)46-31(9-11-45-17-31)16-39(47(24,43)44)15-22-13-21(7-6-19(22)2)25(30(4,5)29(41)42)23-8-10-40-26(20(23)3)37-38-28(40)32(33,34)35/h6-8,10,12-14,25H,9,11,15-17H2,1-5H3,(H,41,42)/t25-,31-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486963
PNG
(US10947252, Example 443)
Show SMILES Cc1cc2cc(C(CC(O)=O)c3ccc(C)c(CN4C[C@H]5CCCCN5c5ncccc5S4(=O)=O)c3)n(C)c2nn1
Show InChI InChI=1S/C30H34N6O4S/c1-19-9-10-21(25(16-28(37)38)26-15-22-13-20(2)32-33-29(22)34(26)3)14-23(19)17-35-18-24-7-4-5-12-36(24)30-27(41(35,39)40)8-6-11-31-30/h6,8-11,13-15,24-25H,4-5,7,12,16-18H2,1-3H3,(H,37,38)/t24-,25?/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486965
PNG
(US10947252, Example 445)
Show SMILES Cc1cc2cc([C@H](CC(O)=O)c3ccc(C)c(CN4C[C@H]5CCCCN5c5ncccc5S4(=O)=O)c3)n(C)c2nn1
Show InChI InChI=1S/C30H34N6O4S/c1-19-9-10-21(25(16-28(37)38)26-15-22-13-20(2)32-33-29(22)34(26)3)14-23(19)17-35-18-24-7-4-5-12-36(24)30-27(41(35,39)40)8-6-11-31-30/h6,8-11,13-15,24-25H,4-5,7,12,16-18H2,1-3H3,(H,37,38)/t24-,25-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486966
PNG
(US10947252, Example 446)
Show SMILES Cc1ccc(cc1CN1C[C@@H]2CCCCN2c2ncccc2S1(=O)=O)C(CC(O)=O)c1ccn2c(nnc2c1C)C(F)F
Show InChI InChI=1S/C30H32F2N6O4S/c1-18-8-9-20(24(15-26(39)40)23-10-13-38-28(19(23)2)34-35-30(38)27(31)32)14-21(18)16-36-17-22-6-3-4-12-37(22)29-25(43(36,41)42)7-5-11-33-29/h5,7-11,13-14,22,24,27H,3-4,6,12,15-17H2,1-2H3,(H,39,40)/t22-,24?/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486976
PNG
(US10947252, Example 458)
Show SMILES Cc1ccc(cc1CN1C[C@@H]2COCCN2c2ncccc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)F
Show InChI InChI=1S/C29H30F2N6O5S/c1-17-5-6-19(23(13-25(38)39)22-7-9-37-27(18(22)2)33-34-29(37)26(30)31)12-20(17)14-35-15-21-16-42-11-10-36(21)28-24(43(35,40)41)4-3-8-32-28/h3-9,12,21,23,26H,10-11,13-16H2,1-2H3,(H,38,39)/t21-,23+/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486987
PNG
(US10947252, Example 470)
Show SMILES Cc1ccc(cc1CN1CC2(COC2)Oc2ncccc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)F
Show InChI InChI=1S/C28H27F2N5O6S/c1-16-5-6-18(21(11-23(36)37)20-7-9-35-25(17(20)2)32-33-26(35)24(29)30)10-19(16)12-34-13-28(14-40-15-28)41-27-22(42(34,38)39)4-3-8-31-27/h3-10,21,24H,11-15H2,1-2H3,(H,36,37)/t21-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486992
PNG
(US10947252, Example 475)
Show SMILES Cc1ccc(cc1CN1C[C@]2(C)CCCN2c2ncccc2S1(=O)=O)C(CC(O)=O)c1ccn2c(nnc2c1C)C(F)F
Show InChI InChI=1S/C30H32F2N6O4S/c1-18-7-8-20(23(15-25(39)40)22-9-13-37-27(19(22)2)34-35-29(37)26(31)32)14-21(18)16-36-17-30(3)10-5-12-38(30)28-24(43(36,41)42)6-4-11-33-28/h4,6-9,11,13-14,23,26H,5,10,12,15-17H2,1-3H3,(H,39,40)/t23?,30-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM486993
PNG
(US10947252, Example 476)
Show SMILES Cc1ccc(cc1CN1C[C@]2(C)CCCN2c2ncccc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)F
Show InChI InChI=1S/C30H32F2N6O4S/c1-18-7-8-20(23(15-25(39)40)22-9-13-37-27(19(22)2)34-35-29(37)26(31)32)14-21(18)16-36-17-30(3)10-5-12-38(30)28-24(43(36,41)42)6-4-11-33-28/h4,6-9,11,13-14,23,26H,5,10,12,15-17H2,1-3H3,(H,39,40)/t23-,30-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM487010
PNG
(US10947252, Example 494)
Show SMILES Cc1ccc(nc1CN1CC2(COC2)Oc2ncccc2S1(=O)=O)[C@@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C27H25F3N6O6S/c1-15-5-6-19(18(10-22(37)38)17-7-9-36-23(16(17)2)33-34-25(36)27(28,29)30)32-20(15)11-35-12-26(13-41-14-26)42-24-21(43(35,39)40)4-3-8-31-24/h3-9,18H,10-14H2,1-2H3,(H,37,38)/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM487011
PNG
(US10947252, Example 495)
Show SMILES Cc1ccc(nc1CN1CC2(COC2)Oc2ncccc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C27H25F3N6O6S/c1-15-5-6-19(18(10-22(37)38)17-7-9-36-23(16(17)2)33-34-25(36)27(28,29)30)32-20(15)11-35-12-26(13-41-14-26)42-24-21(43(35,39)40)4-3-8-31-24/h3-9,18H,10-14H2,1-2H3,(H,37,38)/t18-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM487038
PNG
(US10947252, Example 539)
Show SMILES Cc1ccc(cc1CN1C[C@H]2CCCN2c2ncc(cc2S1(=O)=O)C#N)C(CC(O)=O)c1ccn2c(nnc2c1C)C(F)F
Show InChI InChI=1S/C30H29F2N7O4S/c1-17-5-6-20(24(12-26(40)41)23-7-9-39-28(18(23)2)35-36-30(39)27(31)32)11-21(17)15-37-16-22-4-3-8-38(22)29-25(44(37,42)43)10-19(13-33)14-34-29/h5-7,9-11,14,22,24,27H,3-4,8,12,15-16H2,1-2H3,(H,40,41)/t22-,24?/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
Nrf2-Keap1 protein


(Homo sapiens (Human))
BDBM487042
PNG
(US10947252, Example 543)
Show SMILES Cc1ccc(cc1CN1C[C@@H]2CCCN2c2ncc(cc2S1(=O)=O)C#N)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)F
Show InChI InChI=1S/C30H29F2N7O4S/c1-17-5-6-20(24(12-26(40)41)23-7-9-39-28(18(23)2)35-36-30(39)27(31)32)11-21(17)15-37-16-22-4-3-8-38(22)29-25(44(37,42)43)10-19(13-33)14-34-29/h5-7,9-11,14,22,24,27H,3-4,8,12,15-16H2,1-2H3,(H,40,41)/t22-,24-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The ThermoFluorŪ is a fluorescence based assay (Tf) that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal s...


US Patent US10947252 (2021)

More data for this
Ligand-Target Pair
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