Compile Data Set for Download or QSAR
Found 558 of affinity data for UniProtKB/TrEMBL: Q5R774
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486659(US10947252, Example 94 | US11427601, Example 94)
Show SMILES Cc1c(ccn2c(nnc12)C(F)(F)F)[C@@H](CC(O)=O)c1ccc(Cl)c(CN2CC3CCCCN3c3ncc(F)cc3S2(=O)=O)c1
Show InChI InChI=1S/C29H27ClF4N6O4S/c1-16-21(7-9-40-26(16)36-37-28(40)29(32,33)34)22(12-25(41)42)17-5-6-23(30)18(10-17)14-38-15-20-4-2-3-8-39(20)27-24(45(38,43)44)11-19(31)13-35-27/h5-7,9-11,13,20,22H,2-4,8,12,14-15H2,1H3,(H,41,42)/t20?,22-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486660(US10947252, Example 95 | US11427601, Example 95)
Show SMILES Cc1c(ccn2c(nnc12)C(F)(F)F)C(CC(O)=O)c1ccc(Cl)c(CN2CC3(COC3)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H24ClF3N4O6S/c1-16-19(8-9-36-25(16)33-34-26(36)28(30,31)32)20(11-24(37)38)17-6-7-21(29)18(10-17)12-35-13-27(14-41-15-27)42-22-4-2-3-5-23(22)43(35,39)40/h2-10,20H,11-15H2,1H3,(H,37,38)
Affinity DataKd:  2.5nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486661(US10947252, Example 96 | US11427601, Example 96)
Show SMILES Cc1c(ccn2c(nnc12)C(F)(F)F)[C@H](CC(O)=O)c1ccc(Cl)c(CN2CC3(COC3)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H24ClF3N4O6S/c1-16-19(8-9-36-25(16)33-34-26(36)28(30,31)32)20(11-24(37)38)17-6-7-21(29)18(10-17)12-35-13-27(14-41-15-27)42-22-4-2-3-5-23(22)43(35,39)40/h2-10,20H,11-15H2,1H3,(H,37,38)/t20-/m1/s1
Affinity DataKd:  1.10nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486662(US10947252, Example 97 | US11427601, Example 97)
Show SMILES Cc1c(ccn2c(nnc12)C(F)(F)F)[C@@H](CC(O)=O)c1ccc(Cl)c(CN2CC3(COC3)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H24ClF3N4O6S/c1-16-19(8-9-36-25(16)33-34-26(36)28(30,31)32)20(11-24(37)38)17-6-7-21(29)18(10-17)12-35-13-27(14-41-15-27)42-22-4-2-3-5-23(22)43(35,39)40/h2-10,20H,11-15H2,1H3,(H,37,38)/t20-/m0/s1
Affinity DataKd:  10nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM570257((*S)-3-(3-((8-Fluoro-1,1-dioxidospiro[benzo[b][1,4...)
Show SMILES Cc1c(ccn2c(nnc12)C(F)(F)F)[C@@H](CC(O)=O)c1ccc(Cl)c(CN2CC3(COC3)Oc3ccc(F)cc3S2(=O)=O)c1
Show InChI InChI=1S/C28H23ClF4N4O6S/c1-15-19(6-7-37-25(15)34-35-26(37)28(31,32)33)20(10-24(38)39)16-2-4-21(29)17(8-16)11-36-12-27(13-42-14-27)43-22-5-3-18(30)9-23(22)44(36,40)41/h2-9,20H,10-14H2,1H3,(H,38,39)/t20-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486664(US10947252, Example 100 | US11427601, Example 100)
Show SMILES Cc1ccc(cc1CN1CC2(CC2)Oc2nc(Cl)ccc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C28H25ClF3N5O5S/c1-15-3-4-17(20(12-23(38)39)19-7-10-37-24(16(19)2)34-35-26(37)28(30,31)32)11-18(15)13-36-14-27(8-9-27)42-25-21(43(36,40)41)5-6-22(29)33-25/h3-7,10-11,20H,8-9,12-14H2,1-2H3,(H,38,39)/t20-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486665(US10947252, Example 101 | US11427601, Example 101)
Show SMILES Cc1ccc(cc1CN1CC2(CC2)Oc2nc(NCCO)ccc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6O6S/c1-17-3-4-19(22(14-25(41)42)21-7-11-39-26(18(21)2)36-37-28(39)30(31,32)33)13-20(17)15-38-16-29(8-9-29)45-27-23(46(38,43)44)5-6-24(35-27)34-10-12-40/h3-7,11,13,22,40H,8-10,12,14-16H2,1-2H3,(H,34,35)(H,41,42)/t22-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486666(US10947252, Example 102 | US11427601, Example 102)
Show SMILES Cc1ccc(cc1CN1CC2(CC2)Oc2nc(NCCCO)ccc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C31H33F3N6O6S/c1-18-4-5-20(23(15-26(42)43)22-8-12-40-27(19(22)2)37-38-29(40)31(32,33)34)14-21(18)16-39-17-30(9-10-30)46-28-24(47(39,44)45)6-7-25(36-28)35-11-3-13-41/h4-8,12,14,23,41H,3,9-11,13,15-17H2,1-2H3,(H,35,36)(H,42,43)/t23-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486667(US10947252, Example 103 | US11427601, Example 103)
Show SMILES Cc1ccc(cc1CN1CC2(CC2)Oc2nc(O)ccc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C28H26F3N5O6S/c1-15-3-4-17(20(12-23(38)39)19-7-10-36-24(16(19)2)33-34-26(36)28(29,30)31)11-18(15)13-35-14-27(8-9-27)42-25-21(43(35,40)41)5-6-22(37)32-25/h3-7,10-11,20H,8-9,12-14H2,1-2H3,(H,32,37)(H,38,39)/t20-/m0/s1
Affinity DataKd:  1.60nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486668(US10947252, Example 105 | US11427601, Example 105)
Show SMILES Cc1cnc2OC3(CC3)CN(Cc3cc(ccc3C#N)[C@H](CC(O)=O)c3ccn4c(nnc4c3C)C(F)(F)F)S(=O)(=O)c2c1
Show InChI InChI=1S/C29H25F3N6O5S/c1-16-9-23-26(34-13-16)43-28(6-7-28)15-37(44(23,41)42)14-20-10-18(3-4-19(20)12-33)22(11-24(39)40)21-5-8-38-25(17(21)2)35-36-27(38)29(30,31)32/h3-5,8-10,13,22H,6-7,11,14-15H2,1-2H3,(H,39,40)/t22-/m0/s1
Affinity DataKd:  16nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486669(US10947252, Example 106 | US11427601, Example 106)
Show SMILES Cc1cnc2OC3(CC3)CN(Cc3cc(ccc3C#N)[C@@H](CC(O)=O)c3ccn4c(nnc4c3C)C(F)(F)F)S(=O)(=O)c2c1
Show InChI InChI=1S/C29H25F3N6O5S/c1-16-9-23-26(34-13-16)43-28(6-7-28)15-37(44(23,41)42)14-20-10-18(3-4-19(20)12-33)22(11-24(39)40)21-5-8-38-25(17(21)2)35-36-27(38)29(30,31)32/h3-5,8-10,13,22H,6-7,11,14-15H2,1-2H3,(H,39,40)/t22-/m1/s1
Affinity DataKd:  21nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486670(US10947252, Example 107 | US11427601, Example 107)
Show SMILES COCCCNc1ccc2c(OC3(CC3)CN(Cc3cc(ccc3C)[C@H](CC(O)=O)c3ccn4c(nnc4c3C)C(F)(F)F)S2(=O)=O)n1
Show InChI InChI=1S/C32H35F3N6O6S/c1-19-5-6-21(24(16-27(42)43)23-9-13-41-28(20(23)2)38-39-30(41)32(33,34)35)15-22(19)17-40-18-31(10-11-31)47-29-25(48(40,44)45)7-8-26(37-29)36-12-4-14-46-3/h5-9,13,15,24H,4,10-12,14,16-18H2,1-3H3,(H,36,37)(H,42,43)/t24-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486671(US10947252, Example 108 | US11427601, Example 108)
Show SMILES CN(CCCO)c1ccc2c(OC3(CC3)CN(Cc3cc(ccc3C)[C@H](CC(O)=O)c3ccn4c(nnc4c3C)C(F)(F)F)S2(=O)=O)n1
Show InChI InChI=1S/C32H35F3N6O6S/c1-19-5-6-21(24(16-27(43)44)23-9-13-41-28(20(23)2)37-38-30(41)32(33,34)35)15-22(19)17-40-18-31(10-11-31)47-29-25(48(40,45)46)7-8-26(36-29)39(3)12-4-14-42/h5-9,13,15,24,42H,4,10-12,14,16-18H2,1-3H3,(H,43,44)/t24-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486672(US10947252, Example 110 | US11427601, Example 110)
Show SMILES CN(CCO)c1ccc2c(OC3(CC3)CN(Cc3cc(ccc3C)[C@H](CC(O)=O)c3ccn4c(nnc4c3C)C(F)(F)F)S2(=O)=O)n1
Show InChI InChI=1S/C31H33F3N6O6S/c1-18-4-5-20(23(15-26(42)43)22-8-11-40-27(19(22)2)36-37-29(40)31(32,33)34)14-21(18)16-39-17-30(9-10-30)46-28-24(47(39,44)45)6-7-25(35-28)38(3)12-13-41/h4-8,11,14,23,41H,9-10,12-13,15-17H2,1-3H3,(H,42,43)/t23-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486673(US10947252, Example 111 | US11427601, Example 111)
Show SMILES Cc1ccc(cc1CN1CC2(CC2)Oc2nc(NCCN3CCOCC3)ccc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C34H38F3N7O6S/c1-21-3-4-23(26(18-29(45)46)25-7-11-44-30(22(25)2)40-41-32(44)34(35,36)37)17-24(21)19-43-20-33(8-9-33)50-31-27(51(43,47)48)5-6-28(39-31)38-10-12-42-13-15-49-16-14-42/h3-7,11,17,26H,8-10,12-16,18-20H2,1-2H3,(H,38,39)(H,45,46)/t26-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486674(US10947252, Example 112 | US11427601, Example 112)
Show SMILES Cc1ccc(cc1CN1CC2(CC2)Oc2nc(NCCN3CCCCC3)ccc2S1(=O)=O)[C@H](CC(O)=O)c1ccn2c(nnc2c1C)C(F)(F)F
Show InChI InChI=1S/C35H40F3N7O5S/c1-22-6-7-24(27(19-30(46)47)26-10-16-45-31(23(26)2)41-42-33(45)35(36,37)38)18-25(22)20-44-21-34(11-12-34)50-32-28(51(44,48)49)8-9-29(40-32)39-13-17-43-14-4-3-5-15-43/h6-10,16,18,27H,3-5,11-15,17,19-21H2,1-2H3,(H,39,40)(H,46,47)/t27-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486675(US10947252, Example 115 | US11427601, Example 115)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(NCCCO)ccc2S1(=O)=O)[C@@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C35H41F3N6O7S/c1-21-6-7-23(28(33(3,4)32(46)47)25-10-14-44-29(22(25)2)41-42-31(44)35(36,37)38)18-24(21)19-43-20-34(11-16-50-17-12-34)51-30-26(52(43,48)49)8-9-27(40-30)39-13-5-15-45/h6-10,14,18,28,45H,5,11-13,15-17,19-20H2,1-4H3,(H,39,40)(H,46,47)/t28-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486676(US10947252, Example 116 | US11427601, Example 116)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(NCCCO)ccc2S1(=O)=O)[C@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C35H41F3N6O7S/c1-21-6-7-23(28(33(3,4)32(46)47)25-10-14-44-29(22(25)2)41-42-31(44)35(36,37)38)18-24(21)19-43-20-34(11-16-50-17-12-34)51-30-26(52(43,48)49)8-9-27(40-30)39-13-5-15-45/h6-10,14,18,28,45H,5,11-13,15-17,19-20H2,1-4H3,(H,39,40)(H,46,47)/t28-/m1/s1
Affinity DataKd:  2.68E+3nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486677(US10947252, Example 117 | US11427601, Example 117)
Show SMILES C[C@H](CCO)Nc1ccc2c(OC3(CCOCC3)CN(Cc3cc(ccc3C)C(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?/m1/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486678(US10947252, Example 118 | US11427601, Example 118)
Show SMILES C[C@@H](CCO)Nc1ccc2c(OC3(CCOCC3)CN(Cc3cc(ccc3C)C(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
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486679(US10947252, Example 119 | US11427601, Example 119)
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+/m1/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486680(US10947252, Example 120 | US11427601, Example 120)
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-/m1/s1
Affinity DataKd:  8.56E+3nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486681(US10947252, Example 121 | US11427601, Example 121)
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
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486682(US10947252, Example 122 | US11427601, 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
Affinity DataKd:  8.93E+3nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486683(US10947252, Example 123 | US11427601, 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
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486684(US10947252, Example 124 | US11427601, Example 124)
Show SMILES C[C@@H](Nc1nc2OC3(CCOCC3)CN(Cc3cc(ccc3C)[C@H](c3ccn4c(nnc4c3C)C(F)(F)F)C(C)(C)C(O)=O)S(=O)(=O)c2cc1C)C(C)(C)O
Show InChI InChI=1S/C38H47F3N6O7S/c1-21-9-10-25(29(35(5,6)34(48)49)27-11-14-47-31(23(27)3)44-45-33(47)38(39,40)41)18-26(21)19-46-20-37(12-15-53-16-13-37)54-32-28(55(46,51)52)17-22(2)30(43-32)42-24(4)36(7,8)50/h9-11,14,17-18,24,29,50H,12-13,15-16,19-20H2,1-8H3,(H,42,43)(H,48,49)/t24-,29-/m1/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486685(US10947252, Example 125 | US11427601, Example 361)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(NC3C[C@H](O)C3)c(C)cc2S1(=O)=O)[C@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C37H43F3N6O7S/c1-20-6-7-23(29(35(4,5)34(48)49)27-8-11-46-31(22(27)3)43-44-33(46)37(38,39)40)15-24(20)18-45-19-36(9-12-52-13-10-36)53-32-28(54(45,50)51)14-21(2)30(42-32)41-25-16-26(47)17-25/h6-8,11,14-15,25-26,29,47H,9-10,12-13,16-19H2,1-5H3,(H,41,42)(H,48,49)/t25?,26-,29-/m1/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486686(US10947252, Example 126 | US11427601, Example 126)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(OCCN3CCCCC3)c(C)cc2S1(=O)=O)[C@@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C40H49F3N6O7S/c1-25-9-10-28(32(38(4,5)37(50)51)30-11-16-49-33(27(30)3)45-46-36(49)40(41,42)43)22-29(25)23-48-24-39(12-18-54-19-13-39)56-35-31(57(48,52)53)21-26(2)34(44-35)55-20-17-47-14-7-6-8-15-47/h9-11,16,21-22,32H,6-8,12-15,17-20,23-24H2,1-5H3,(H,50,51)/t32-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486687(US10947252, Example 127 | US11427601, 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
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM570282((*R)-3-(3-((7′-(3-((2-Hydroxyethyl)amino)-3-...)
Show SMILES Cc1ccc(cc1CN1CC2(CCOCC2)Oc2nc(OCC(=O)NCCO)ccc2S1(=O)=O)[C@H](c1ccn2c(nnc2c1C)C(F)(F)F)C(C)(C)C(O)=O
Show InChI InChI=1S/C36H41F3N6O9S/c1-21-5-6-23(29(34(3,4)33(48)49)25-9-13-45-30(22(25)2)42-43-32(45)36(37,38)39)17-24(21)18-44-20-35(10-15-52-16-11-35)54-31-26(55(44,50)51)7-8-28(41-31)53-19-27(47)40-12-14-46/h5-9,13,17,29,46H,10-12,14-16,18-20H2,1-4H3,(H,40,47)(H,48,49)/t29-/m1/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM570283(3-(3-(((*S)-5,5-Dioxido-7,7a,8,9,10,11-hexahydro-6...)
Show SMILES CC(C(c1ccc(C)c(CN2C[C@@H]3CCCCN3c3ncccc3S2(=O)=O)c1)c1ccn2c(nnc2c1C)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C31H33F3N6O4S/c1-18-9-10-21(26(20(3)29(41)42)24-11-14-40-27(19(24)2)36-37-30(40)31(32,33)34)15-22(18)16-38-17-23-7-4-5-13-39(23)28-25(45(38,43)44)8-6-12-35-28/h6,8-12,14-15,20,23,26H,4-5,7,13,16-17H2,1-3H3,(H,41,42)/t20?,23-,26?/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM570284((3*R)-3-(5,8-Dimethyl-3)-(trifluoromethyl)-[1,2,4-...)
Show SMILES CC(C(c1ccc(C)c(CN2C[C@@H]3CCCCN3c3ncccc3S2(=O)=O)c1)c1cc(C)n2c(nnc2c1C)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C32H35F3N6O4S/c1-18-10-11-22(27(21(4)30(42)43)25-14-19(2)41-28(20(25)3)37-38-31(41)32(33,34)35)15-23(18)16-39-17-24-8-5-6-13-40(24)29-26(46(39,44)45)9-7-12-36-29/h7,9-12,14-15,21,24,27H,5-6,8,13,16-17H2,1-4H3,(H,42,43)/t21?,24-,27?/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486691(US10947252, Example 134 | US11427601, Example 134)
Show SMILES CC([C@@H](c1ccc(C)c(CN2C[C@@H]3CCCCN3c3ncccc3S2(=O)=O)c1)c1cc(C)n2c(nnc2c1C)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C32H35F3N6O4S/c1-18-10-11-22(27(21(4)30(42)43)25-14-19(2)41-28(20(25)3)37-38-31(41)32(33,34)35)15-23(18)16-39-17-24-8-5-6-13-40(24)29-26(46(39,44)45)9-7-12-36-29/h7,9-12,14-15,21,24,27H,5-6,8,13,16-17H2,1-4H3,(H,42,43)/t21?,24-,27-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486692(US10947252, Example 135 | US11427601, Example 135)
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?/m0/s1
Affinity DataKd:  1.80nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486693(US10947252, Example 136 | US11427601, Example 136)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](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-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486694(US10947252, Example 137 | US11427601, Example 137)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@H](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+/m0/s1
Affinity DataKd:  5.80nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486695(US10947252, Example 138 | US11427601, 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
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486696(US10947252, Example 139 | US11427601, Example 139)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](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
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486697(US10947252, Example 140 | US11427601, Example 140)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@H](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
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486698(US10947252, Example 141 | US11427601, Example 141)
Show SMILES CCn1nnc2c(C)c(ccc12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H]3CCCCN3c3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C31H36N6O4S/c1-4-37-27-13-12-25(21(3)30(27)33-34-37)26(17-29(38)39)22-11-10-20(2)23(16-22)18-35-19-24-8-5-6-15-36(24)31-28(42(35,40)41)9-7-14-32-31/h7,9-14,16,24,26H,4-6,8,15,17-19H2,1-3H3,(H,38,39)/t24-,26?/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486699(US10947252, Example 142 | US11427601, Example 142)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H]3CCCCN3c3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C31H36N6O4S/c1-4-37-27-13-12-25(21(3)30(27)33-34-37)26(17-29(38)39)22-11-10-20(2)23(16-22)18-35-19-24-8-5-6-15-36(24)31-28(42(35,40)41)9-7-14-32-31/h7,9-14,16,24,26H,4-6,8,15,17-19H2,1-3H3,(H,38,39)/t24-,26-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486700(US10947252, Example 143 | US11427601, Example 143)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H]3CCCCN3c3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C31H36N6O4S/c1-4-37-27-13-12-25(21(3)30(27)33-34-37)26(17-29(38)39)22-11-10-20(2)23(16-22)18-35-19-24-8-5-6-15-36(24)31-28(42(35,40)41)9-7-14-32-31/h7,9-14,16,24,26H,4-6,8,15,17-19H2,1-3H3,(H,38,39)/t24-,26+/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486701(US10947252, Example 144 | US11427601, Example 144)
Show SMILES CCn1nnc2c(C)c(ccc12)C(CC(O)=O)c1ccc(C)c(CN2C[C@H]3CCCCN3c3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C31H36N6O4S/c1-4-37-27-13-12-25(21(3)30(27)33-34-37)26(17-29(38)39)22-11-10-20(2)23(16-22)18-35-19-24-8-5-6-15-36(24)31-28(42(35,40)41)9-7-14-32-31/h7,9-14,16,24,26H,4-6,8,15,17-19H2,1-3H3,(H,38,39)/t24-,26?/m1/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486702(US10947252, Example 145 | US11427601, Example 145)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@H]3CCCCN3c3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C31H36N6O4S/c1-4-37-27-13-12-25(21(3)30(27)33-34-37)26(17-29(38)39)22-11-10-20(2)23(16-22)18-35-19-24-8-5-6-15-36(24)31-28(42(35,40)41)9-7-14-32-31/h7,9-14,16,24,26H,4-6,8,15,17-19H2,1-3H3,(H,38,39)/t24-,26+/m1/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486703(US10947252, Example 146 | US11427601, Example 146)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@H](CC(O)=O)c1ccc(C)c(CN2C[C@H]3CCCCN3c3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C31H36N6O4S/c1-4-37-27-13-12-25(21(3)30(27)33-34-37)26(17-29(38)39)22-11-10-20(2)23(16-22)18-35-19-24-8-5-6-15-36(24)31-28(42(35,40)41)9-7-14-32-31/h7,9-14,16,24,26H,4-6,8,15,17-19H2,1-3H3,(H,38,39)/t24-,26-/m1/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486704(US10947252, Example 147 | US11427601, Example 147)
Show SMILES CCn1nnc2c(C)c(ccc12)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H]3CCCN3c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C31H35N5O4S/c1-4-36-28-14-13-25(21(3)31(28)32-33-36)26(17-30(37)38)22-12-11-20(2)23(16-22)18-34-19-24-8-7-15-35(24)27-9-5-6-10-29(27)41(34,39)40/h5-6,9-14,16,24,26H,4,7-8,15,17-19H2,1-3H3,(H,37,38)/t24-,26?/m0/s1
Affinity DataKd:  1.5nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486705(US10947252, Example 148 | US11427601, Example 148)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H]3CCCN3c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C31H35N5O4S/c1-4-36-28-14-13-25(21(3)31(28)32-33-36)26(17-30(37)38)22-12-11-20(2)23(16-22)18-34-19-24-8-7-15-35(24)27-9-5-6-10-29(27)41(34,39)40/h5-6,9-14,16,24,26H,4,7-8,15,17-19H2,1-3H3,(H,37,38)/t24-,26-/m0/s1
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486706(US10947252, Example 149 | US11427601, Example 149)
Show SMILES CCn1nnc2c(C)c(ccc12)[C@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H]3CCCN3c3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C31H35N5O4S/c1-4-36-28-14-13-25(21(3)31(28)32-33-36)26(17-30(37)38)22-12-11-20(2)23(16-22)18-34-19-24-8-7-15-35(24)27-9-5-6-10-29(27)41(34,39)40/h5-6,9-14,16,24,26H,4,7-8,15,17-19H2,1-3H3,(H,37,38)/t24-,26+/m0/s1
Affinity DataKd:  8.60nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486707(US10947252, Example 150 | US11427601, Example 150)
Show SMILES CCn1nnc2c(C)c(ccc12)C(CC(O)=O)c1ccc(C)c(CN2CC(C)(C)Oc3ncccc3S2(=O)=O)c1
Show InChI InChI=1S/C29H33N5O5S/c1-6-34-24-12-11-22(19(3)27(24)31-32-34)23(15-26(35)36)20-10-9-18(2)21(14-20)16-33-17-29(4,5)39-28-25(40(33,37)38)8-7-13-30-28/h7-14,23H,6,15-17H2,1-5H3,(H,35,36)
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetKelch-like ECH-associated protein 1 [321-624](Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM486708(US10947252, Example 151 | US11427601, Example 151)
Show SMILES CCn1nnc2c(C)c(ccc12)C(CC(O)=O)c1ccc(C)c(CN2CC(C)(C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C30H34N4O5S/c1-6-34-25-14-13-23(20(3)29(25)31-32-34)24(16-28(35)36)21-12-11-19(2)22(15-21)17-33-18-30(4,5)39-26-9-7-8-10-27(26)40(33,37)38/h7-15,24H,6,16-18H2,1-5H3,(H,35,36)
Affinity DataKd: <1nMAssay Description:The details of the KEAP1 KELCH ThermoFluorŪ Assay Construct are as follows: Kelch domain of human KEAP 1 (321-624 aa) was used in the assay. The prot...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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