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Compile Data Set for Download or QSAR

Found 834 hits Enz. Inhib. hit(s) with Target = 'Nuclear factor erythroid 2-related factor 2'   
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
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50321036
PNG
(CHEMBL4160447)
Show SMILES C[C@H](Oc1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1[C@@H]1C[C@H]1c1cn(C)nn1)C1CCCCC1
Show InChI InChI=1S/C30H33N5O3/c1-19(20-8-4-3-5-9-20)38-24-13-7-11-22(15-24)21-10-6-12-23(14-21)35-29(27(17-31-35)30(36)37)26-16-25(26)28-18-34(2)33-32-28/h6-7,10-15,17-20,25-26H,3-5,8-9,16H2,1-2H3,(H,36,37)/t19-,25+,26+/m0/s1
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n/an/a<10n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of full length Flag/His-tagged Keap1 kelch domain (unknown origin)/full length Avi-tagged Nrf2 (unknown origin) interaction after 2.25 hrs...


J Med Chem 61: 8088-8103 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00358
BindingDB Entry DOI: 10.7270/Q2CJ8H17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50321036
PNG
(CHEMBL4160447)
Show SMILES C[C@H](Oc1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1[C@@H]1C[C@H]1c1cn(C)nn1)C1CCCCC1
Show InChI InChI=1S/C30H33N5O3/c1-19(20-8-4-3-5-9-20)38-24-13-7-11-22(15-24)21-10-6-12-23(14-21)35-29(27(17-31-35)30(36)37)26-16-25(26)28-18-34(2)33-32-28/h6-7,10-15,17-20,25-26H,3-5,8-9,16H2,1-2H3,(H,36,37)/t19-,25+,26+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of Keap1 kelch domain (unknow origin)/Nrf2-ETGE peptide (unknown origin) interaction by fluorescence polarization assay


J Med Chem 61: 8088-8103 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00358
BindingDB Entry DOI: 10.7270/Q2CJ8H17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50321027
PNG
(CHEMBL4175603)
Show SMILES CCCC[C@@H]1CCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1
Show InChI InChI=1S/C28H31N3O3/c1-2-3-10-23-12-6-15-30(23)27(32)22-9-4-7-20(16-22)21-8-5-11-24(17-21)31-26(19-13-14-19)25(18-29-31)28(33)34/h4-5,7-9,11,16-19,23H,2-3,6,10,12-15H2,1H3,(H,33,34)/t23-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of full length Flag/His-tagged Keap1 kelch domain (unknown origin)/full length Avi-tagged Nrf2 (unknown origin) interaction after 2.25 hrs...


J Med Chem 61: 8088-8103 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00358
BindingDB Entry DOI: 10.7270/Q2CJ8H17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109368
PNG
(CHEMBL3601212)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12
Show InChI InChI=1S/C30H28N4O10S2/c1-19(35)31-21-7-11-23(12-8-21)45(41,42)33(17-29(37)38)27-15-16-28(26-6-4-3-5-25(26)27)34(18-30(39)40)46(43,44)24-13-9-22(10-14-24)32-20(2)36/h3-16H,17-18H2,1-2H3,(H,31,35)(H,32,36)(H,37,38)(H,39,40)
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain/FITC-9mer Nrf2 (unknown origin) interaction after 30 mins by fluorescence polarization assay


ACS Med Chem Lett 7: 835-40 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00407
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109368
PNG
(CHEMBL3601212)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12
Show InChI InChI=1S/C30H28N4O10S2/c1-19(35)31-21-7-11-23(12-8-21)45(41,42)33(17-29(37)38)27-15-16-28(26-6-4-3-5-25(26)27)34(18-30(39)40)46(43,44)24-13-9-22(10-14-24)32-20(2)36/h3-16H,17-18H2,1-2H3,(H,31,35)(H,32,36)(H,37,38)(H,39,40)
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50535176
PNG
(CHEMBL4544116)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1nn[nH]n1)c1ccc(N(Cc2nn[nH]n2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12
Show InChI InChI=1S/C30H28N12O6S2/c1-19(43)31-21-7-11-23(12-8-21)49(45,46)41(17-29-33-37-38-34-29)27-15-16-28(26-6-4-3-5-25(26)27)42(18-30-35-39-40-36-30)50(47,48)24-13-9-22(10-14-24)32-20(2)44/h3-16H,17-18H2,1-2H3,(H,31,43)(H,32,44)(H,33,34,37,38)(H,35,36,39,40)
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain/FITC-9mer Nrf2 (unknown origin) interaction after 30 mins by fluorescence polarization assay


ACS Med Chem Lett 7: 835-40 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00407
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109404
PNG
(CHEMBL3601208)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(C)cc2)c2ccccc12
Show InChI InChI=1S/C28H26N2O8S2/c1-19-7-11-21(12-8-19)39(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)40(37,38)22-13-9-20(2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 18n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50200461
PNG
(CHEMBL3946369)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C49H83N7O16/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-38(58)52-35(29-42(64)65)48(70)56-27-20-21-37(56)46(68)53-34(24-26-41(62)63)45(67)55-43(32(4)57)47(69)50-30-39(59)51-33(23-25-40(60)61)44(66)54-36(49(71)72)28-31(2)3/h31-37,43,57H,5-30H2,1-4H3,(H,50,69)(H,51,59)(H,52,58)(H,53,68)(H,54,66)(H,55,67)(H,60,61)(H,62,63)(H,64,65)(H,71,72)/t32-,33+,34+,35+,36+,37+,43+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1/Nrf2 (unknown origin) interaction assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain after 1 hr by FITC-...


J Med Chem 59: 10837-10858 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50006932
PNG
(CHEMBL3237245)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 25n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...


J Med Chem 61: 8029-8047 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50535743
PNG
(CHEBI:3197 | CHEMBL459546)
Show SMILES COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Dongguk University

Curated by ChEMBL


Assay Description
Inhibition of NRF2 in human MDA-MB-231 cells harboring ARE-GFP-Luc assessed as reduction in ARE-luciferase activity after 16 hrs by firefly luciferas...


Bioorg Med Chem Lett 29: 2189-2196 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.049
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50006932
PNG
(CHEMBL3237245)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 29n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Keap1/Nrf2 complex (unknown origin)


Bioorg Med Chem Lett 25: 2261-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.019
BindingDB Entry DOI: 10.7270/Q20V8GSC
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50006932
PNG
(CHEMBL3237245)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-11-21(12-8-19)41(35,36)29(17-27(31)32)25-15-16-26(24-6-4-3-5-23(24)25)30(18-28(33)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 31n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109371
PNG
(CHEMBL3601215)
Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccccc2)c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H22N2O8S2/c29-25(30)17-27(37(33,34)19-9-3-1-4-10-19)23-15-16-24(22-14-8-7-13-21(22)23)28(18-26(31)32)38(35,36)20-11-5-2-6-12-20/h1-16H,17-18H2,(H,29,30)(H,31,32)
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n/an/a 34n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109367
PNG
(CHEMBL3601211)
Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(Br)cc2)c2ccccc12)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C26H20Br2N2O8S2/c27-17-5-9-19(10-6-17)39(35,36)29(15-25(31)32)23-13-14-24(22-4-2-1-3-21(22)23)30(16-26(33)34)40(37,38)20-11-7-18(28)8-12-20/h1-14H,15-16H2,(H,31,32)(H,33,34)
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n/an/a 37n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109396
PNG
(CHEMBL3601221)
Show SMILES CCCCc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(CCCC)cc2)c2ccccc12
Show InChI InChI=1S/C34H38N2O8S2/c1-3-5-9-25-13-17-27(18-14-25)45(41,42)35(23-33(37)38)31-21-22-32(30-12-8-7-11-29(30)31)36(24-34(39)40)46(43,44)28-19-15-26(16-20-28)10-6-4-2/h7-8,11-22H,3-6,9-10,23-24H2,1-2H3,(H,37,38)(H,39,40)
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n/an/a 42n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109366
PNG
(CHEMBL3601210)
Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20Cl2N2O8S2/c27-17-5-9-19(10-6-17)39(35,36)29(15-25(31)32)23-13-14-24(22-4-2-1-3-21(22)23)30(16-26(33)34)40(37,38)20-11-7-18(28)8-12-20/h1-14H,15-16H2,(H,31,32)(H,33,34)
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n/an/a 42n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109392
PNG
(CHEMBL3601217)
Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2cccc3ccccc23)c2ccccc12)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C34H26N2O8S2/c37-33(38)21-35(45(41,42)31-17-7-11-23-9-1-3-13-25(23)31)29-19-20-30(28-16-6-5-15-27(28)29)36(22-34(39)40)46(43,44)32-18-8-12-24-10-2-4-14-26(24)32/h1-20H,21-22H2,(H,37,38)(H,39,40)
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n/an/a 47n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109369
PNG
(CHEMBL3601213)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)C(C)(C)C)c2ccccc12
Show InChI InChI=1S/C34H38N2O8S2/c1-33(2,3)23-11-15-25(16-12-23)45(41,42)35(21-31(37)38)29-19-20-30(28-10-8-7-9-27(28)29)36(22-32(39)40)46(43,44)26-17-13-24(14-18-26)34(4,5)6/h7-20H,21-22H2,1-6H3,(H,37,38)(H,39,40)
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n/an/a 50n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109365
PNG
(CHEMBL3601209)
Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H20F2N2O8S2/c27-17-5-9-19(10-6-17)39(35,36)29(15-25(31)32)23-13-14-24(22-4-2-1-3-21(22)23)30(16-26(33)34)40(37,38)20-11-7-18(28)8-12-20/h1-14H,15-16H2,(H,31,32)(H,33,34)
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n/an/a 54n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537622
PNG
(CHEMBL4634168)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(F)F)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C27H25F2N3O8S2/c1-39-18-7-11-20(12-8-18)41(35,36)31(16-25(28)29)24-15-30-27(23-6-4-3-5-22(23)24)32(17-26(33)34)42(37,38)21-13-9-19(40-2)10-14-21/h3-15,25H,16-17H2,1-2H3,(H,33,34)
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50369389
PNG
(CHEMBL4174651)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C27H25N3O10S2/c1-39-18-7-11-20(12-8-18)41(35,36)29(16-25(31)32)24-15-28-27(23-6-4-3-5-22(23)24)30(17-26(33)34)42(37,38)21-13-9-19(40-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 60n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...


J Med Chem 61: 8029-8047 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50369389
PNG
(CHEMBL4174651)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C27H25N3O10S2/c1-39-18-7-11-20(12-8-18)41(35,36)29(16-25(31)32)24-15-28-27(23-6-4-3-5-22(23)24)30(17-26(33)34)42(37,38)21-13-9-19(40-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 63n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50130549
PNG
(CHEMBL3632711)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(N)=O)c1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C28H28N4O8S2/c1-39-19-7-11-21(12-8-19)41(35,36)31(17-27(29)33)25-15-16-26(24-6-4-3-5-23(24)25)32(18-28(30)34)42(37,38)22-13-9-20(40-2)10-14-22/h3-16H,17-18H2,1-2H3,(H2,29,33)(H2,30,34)
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n/an/a 63n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...


J Med Chem 61: 8029-8047 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109394
PNG
(CHEMBL3601219)
Show SMILES COc1cccc(c1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-7-5-9-21(15-19)41(35,36)29(17-27(31)32)25-13-14-26(24-12-4-3-11-23(24)25)30(18-28(33)34)42(37,38)22-10-6-8-20(16-22)40-2/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 66n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537618
PNG
(CHEMBL4646536)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ncc(N(CC(F)(F)F)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C27H24F3N3O8S2/c1-40-18-7-11-20(12-8-18)42(36,37)32(16-25(34)35)26-23-6-4-3-5-22(23)24(15-31-26)33(17-27(28,29)30)43(38,39)21-13-9-19(41-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,34,35)
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n/an/a 73n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50369387
PNG
(CHEMBL4166445)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ncccc12
Show InChI InChI=1S/C27H25N3O10S2/c1-39-18-5-9-20(10-6-18)41(35,36)29(16-25(31)32)23-13-14-24(27-22(23)4-3-15-28-27)30(17-26(33)34)42(37,38)21-11-7-19(40-2)8-12-21/h3-15H,16-17H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 101n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...


J Med Chem 61: 8029-8047 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01133
BindingDB Entry DOI: 10.7270/Q2G163CR
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50200462
PNG
(CHEMBL3928693)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C33H51N7O16/c1-15(2)12-21(33(55)56)38-28(50)18(7-9-24(44)45)36-23(43)14-34-31(53)27(16(3)41)39-29(51)19(8-10-25(46)47)37-30(52)22-6-5-11-40(22)32(54)20(13-26(48)49)35-17(4)42/h15-16,18-22,27,41H,5-14H2,1-4H3,(H,34,53)(H,35,42)(H,36,43)(H,37,52)(H,38,50)(H,39,51)(H,44,45)(H,46,47)(H,48,49)(H,55,56)/t16-,18+,19+,20+,21+,22+,27+/m1/s1
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n/an/a 115n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Nrf2 (unknown origin)


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111862
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109395
PNG
(CHEMBL3601220)
Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)C#N)c2ccccc12)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H20N4O8S2/c29-15-19-5-9-21(10-6-19)41(37,38)31(17-27(33)34)25-13-14-26(24-4-2-1-3-23(24)25)32(18-28(35)36)42(39,40)22-11-7-20(16-30)8-12-22/h1-14H,17-18H2,(H,33,34)(H,35,36)
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n/an/a 118n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537620
PNG
(CHEMBL4641049)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ncc(N(CC(F)(F)F)S(=O)(=O)c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C26H21F4N3O7S2/c1-40-18-8-12-20(13-9-18)41(36,37)32(15-24(34)35)25-22-5-3-2-4-21(22)23(14-31-25)33(16-26(28,29)30)42(38,39)19-10-6-17(27)7-11-19/h2-14H,15-16H2,1H3,(H,34,35)
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109393
PNG
(CHEMBL3601218)
Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(cc2)C(F)(F)F)c2ccccc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H20F6N2O8S2/c29-27(30,31)17-5-9-19(10-6-17)45(41,42)35(15-25(37)38)23-13-14-24(22-4-2-1-3-21(22)23)36(16-26(39)40)46(43,44)20-11-7-18(8-12-20)28(32,33)34/h1-14H,15-16H2,(H,37,38)(H,39,40)
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n/an/a 122n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537619
PNG
(CHEMBL4648321)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(F)(F)F)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C26H21F4N3O7S2/c1-40-18-8-12-20(13-9-18)42(38,39)33(16-26(28,29)30)23-14-31-25(22-5-3-2-4-21(22)23)32(15-24(34)35)41(36,37)19-10-6-17(27)7-11-19/h2-14H,15-16H2,1H3,(H,34,35)
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50205342
PNG
(CHEMBL3962296)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(CCCC(O)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
Show InChI InChI=1S/C30H32N2O8S2/c1-3-39-22-12-16-24(17-13-22)41(35,36)31-28-20-21(8-7-11-29(33)34)30(27-10-6-5-9-26(27)28)32-42(37,38)25-18-14-23(15-19-25)40-4-2/h5-6,9-10,12-20,31-32H,3-4,7-8,11H2,1-2H3,(H,33,34)
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n/an/a 150n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-His-tagged Keap1-DC domain (321 to 609 residues) (unknown origin) expressed in Escherichia coli/FAM-labeled Nrf2 (unkno...


Bioorg Med Chem Lett 26: 5956-5959 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.083
BindingDB Entry DOI: 10.7270/Q2PC34CB
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109372
PNG
(CHEMBL3601216)
Show SMILES OC(=O)CN(c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H20F6N2O10S2/c29-27(30,31)45-17-5-9-19(10-6-17)47(41,42)35(15-25(37)38)23-13-14-24(22-4-2-1-3-21(22)23)36(16-26(39)40)48(43,44)20-11-7-18(8-12-20)46-28(32,33)34/h1-14H,15-16H2,(H,37,38)(H,39,40)
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n/an/a 179n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50205336
PNG
(CHEMBL3925906)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
Show InChI InChI=1S/C28H28N2O8S3/c1-3-37-19-9-13-21(14-10-19)40(33,34)29-25-17-26(39-18-27(31)32)28(24-8-6-5-7-23(24)25)30-41(35,36)22-15-11-20(12-16-22)38-4-2/h5-17,29-30H,3-4,18H2,1-2H3,(H,31,32)
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n/an/a 200n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-His-tagged Keap1-DC domain (321 to 609 residues) (unknown origin) expressed in Escherichia coli/FAM-labeled Nrf2 (unkno...


Bioorg Med Chem Lett 26: 5956-5959 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.083
BindingDB Entry DOI: 10.7270/Q2PC34CB
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537623
PNG
(CHEMBL4640762)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCF)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C27H26FN3O8S2/c1-38-19-7-11-21(12-8-19)40(34,35)30(16-15-28)25-17-29-27(24-6-4-3-5-23(24)25)31(18-26(32)33)41(36,37)22-13-9-20(39-2)10-14-22/h3-14,17H,15-16,18H2,1-2H3,(H,32,33)
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n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537615
PNG
(CHEMBL4649822)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C25H23N3O8S2/c1-35-17-7-11-19(12-8-17)37(31,32)27-23-15-26-25(22-6-4-3-5-21(22)23)28(16-24(29)30)38(33,34)20-13-9-18(36-2)10-14-20/h3-15,27H,16H2,1-2H3,(H,29,30)
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n/an/a 230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50205341
PNG
(CHEMBL3928944)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(CCC(O)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
Show InChI InChI=1S/C29H30N2O8S2/c1-3-38-21-10-14-23(15-11-21)40(34,35)30-27-19-20(9-18-28(32)33)29(26-8-6-5-7-25(26)27)31-41(36,37)24-16-12-22(13-17-24)39-4-2/h5-8,10-17,19,30-31H,3-4,9,18H2,1-2H3,(H,32,33)
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n/an/a 230n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-His-tagged Keap1-DC domain (321 to 609 residues) (unknown origin) expressed in Escherichia coli/FAM-labeled Nrf2 (unkno...


Bioorg Med Chem Lett 26: 5956-5959 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.083
BindingDB Entry DOI: 10.7270/Q2PC34CB
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537613
PNG
(CHEMBL4637137)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ncc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C26H22FN3O9S2/c1-39-18-8-12-20(13-9-18)41(37,38)30(16-25(33)34)26-22-5-3-2-4-21(22)23(14-28-26)29(15-24(31)32)40(35,36)19-10-6-17(27)7-11-19/h2-14H,15-16H2,1H3,(H,31,32)(H,33,34)
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537612
PNG
(CHEMBL4640093)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C26H22FN3O9S2/c1-39-18-8-12-20(13-9-18)40(35,36)29(15-24(31)32)23-14-28-26(22-5-3-2-4-21(22)23)30(16-25(33)34)41(37,38)19-10-6-17(27)7-11-19/h2-14H,15-16H2,1H3,(H,31,32)(H,33,34)
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n/an/a 280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50205337
PNG
(CHEMBL3906697)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(CC(O)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
Show InChI InChI=1S/C28H28N2O8S2/c1-3-37-20-9-13-22(14-10-20)39(33,34)29-26-17-19(18-27(31)32)28(25-8-6-5-7-24(25)26)30-40(35,36)23-15-11-21(12-16-23)38-4-2/h5-17,29-30H,3-4,18H2,1-2H3,(H,31,32)
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n/an/a 320n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-His-tagged Keap1-DC domain (321 to 609 residues) (unknown origin) expressed in Escherichia coli/FAM-labeled Nrf2 (unkno...


Bioorg Med Chem Lett 26: 5956-5959 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.083
BindingDB Entry DOI: 10.7270/Q2PC34CB
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537611
PNG
(CHEMBL4641622)
Show SMILES OC(=O)CN(c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(O)cc2)c2ccccc12)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C25H21N3O10S2/c29-16-5-9-18(10-6-16)39(35,36)27(14-23(31)32)22-13-26-25(21-4-2-1-3-20(21)22)28(15-24(33)34)40(37,38)19-11-7-17(30)8-12-19/h1-13,29-30H,14-15H2,(H,31,32)(H,33,34)
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n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537621
PNG
(CHEMBL4645359)
Show SMILES OC(=O)CN(c1ncc(N(CC(F)(F)F)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H18F5N3O6S2/c26-16-5-9-18(10-6-16)40(36,37)32(14-23(34)35)24-21-4-2-1-3-20(21)22(13-31-24)33(15-25(28,29)30)41(38,39)19-11-7-17(27)8-12-19/h1-13H,14-15H2,(H,34,35)
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n/an/a 420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50537610
PNG
(CHEMBL4648175)
Show SMILES OC(=O)CN(c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(F)cc2)c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H19F2N3O8S2/c26-16-5-9-18(10-6-16)39(35,36)29(14-23(31)32)22-13-28-25(21-4-2-1-3-20(21)22)30(15-24(33)34)40(37,38)19-11-7-17(27)8-12-19/h1-13H,14-15H2,(H,31,32)(H,33,34)
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n/an/a 430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A4...


J Med Chem 63: 6547-6560 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01074
BindingDB Entry DOI: 10.7270/Q2QV3QDZ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50109403
PNG
(CHEMBL3600394)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c(OC)c1
Show InChI InChI=1S/C25H26N2O11S2/c1-36-18-5-9-20(10-6-18)39(32,33)26(15-24(28)29)17-4-13-22(23(14-17)38-3)27(16-25(30)31)40(34,35)21-11-7-19(37-2)8-12-21/h4-14H,15-16H2,1-3H3,(H,28,29)(H,30,31)
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n/an/a 602n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...


J Med Chem 58: 6410-21 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00185
BindingDB Entry DOI: 10.7270/Q2CR5W5H
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50535172
PNG
(CHEMBL4515723)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1c[nH]nn1)c1ccc(N(Cc2c[nH]nn2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c2ccccc12
Show InChI InChI=1S/C32H30N10O6S2/c1-21(43)35-23-7-11-27(12-8-23)49(45,46)41(19-25-17-33-39-37-25)31-15-16-32(30-6-4-3-5-29(30)31)42(20-26-18-34-40-38-26)50(47,48)28-13-9-24(10-14-28)36-22(2)44/h3-18H,19-20H2,1-2H3,(H,35,43)(H,36,44)(H,33,37,39)(H,34,38,40)
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n/an/a 609n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1 Kelch domain/FITC-9mer Nrf2 (unknown origin) interaction after 30 mins by fluorescence polarization assay


ACS Med Chem Lett 7: 835-40 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00407
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50200474
PNG
(CHEMBL3965182)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C33H52N8O15/c1-15(2)12-20(28(34)51)39-29(52)18(7-9-24(45)46)37-23(44)14-35-32(55)27(16(3)42)40-30(53)19(8-10-25(47)48)38-31(54)22-6-5-11-41(22)33(56)21(13-26(49)50)36-17(4)43/h15-16,18-22,27,42H,5-14H2,1-4H3,(H2,34,51)(H,35,55)(H,36,43)(H,37,44)(H,38,54)(H,39,52)(H,40,53)(H,45,46)(H,47,48)(H,49,50)/t16-,18+,19+,20+,21+,22+,27+/m1/s1
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n/an/a 634n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1/Nrf2 (unknown origin) interaction assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain after 1 hr by FITC-...


J Med Chem 59: 10837-10858 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50205343
PNG
(CHEMBL3953535)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(=O)OC)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
Show InChI InChI=1S/C29H30N2O8S3/c1-4-38-20-10-14-22(15-11-20)41(33,34)30-26-18-27(40-19-28(32)37-3)29(25-9-7-6-8-24(25)26)31-42(35,36)23-16-12-21(13-17-23)39-5-2/h6-18,30-31H,4-5,19H2,1-3H3
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n/an/a 720n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-His-tagged Keap1-DC domain (321 to 609 residues) (unknown origin) expressed in Escherichia coli/FAM-labeled Nrf2 (unkno...


Bioorg Med Chem Lett 26: 5956-5959 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.083
BindingDB Entry DOI: 10.7270/Q2PC34CB
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50200460
PNG
(CHEMBL3890847)
Show SMILES Cc1cccc2[C@@H](CN3Cc4ccccc4C3=O)N(CCc12)C(=O)[C@@H]1CCCC[C@@H]1C(O)=O
Show InChI InChI=1S/C27H30N2O4/c1-17-7-6-12-21-19(17)13-14-29(26(31)22-10-4-5-11-23(22)27(32)33)24(21)16-28-15-18-8-2-3-9-20(18)25(28)30/h2-3,6-9,12,22-24H,4-5,10-11,13-16H2,1H3,(H,32,33)/t22-,23+,24-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of Keap1 kelch domain (unknow origin)/Nrf2-ETGE peptide (unknown origin) interaction by fluorescence polarization assay


J Med Chem 61: 8088-8103 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00358
BindingDB Entry DOI: 10.7270/Q2CJ8H17
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50498216
PNG
(CHEMBL3422852)
Show SMILES Cc1cccc2[C@@H](CN3Cc4ccccc4C3=O)N(CCc12)C(=O)[C@H]1CCCC[C@H]1C(O)=O
Show InChI InChI=1S/C27H30N2O4/c1-17-7-6-12-21-19(17)13-14-29(26(31)22-10-4-5-11-23(22)27(32)33)24(21)16-28-15-18-8-2-3-9-20(18)25(28)30/h2-3,6-9,12,22-24H,4-5,10-11,13-16H2,1H3,(H,32,33)/t22-,23+,24+/m0/s1
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n/an/a 750n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of Keap1/Nrf2 complex (unknown origin)


Bioorg Med Chem Lett 25: 2261-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.019
BindingDB Entry DOI: 10.7270/Q20V8GSC
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50200468
PNG
(CHEMBL3919787)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)C(O)=O
Show InChI InChI=1S/C33H52N8O15/c1-15(2)12-21(33(55)56)39-28(50)18(7-9-25(46)47)37-24(45)14-35-31(53)27(16(3)42)40-29(51)19(8-10-26(48)49)38-30(52)22-6-5-11-41(22)32(54)20(13-23(34)44)36-17(4)43/h15-16,18-22,27,42H,5-14H2,1-4H3,(H2,34,44)(H,35,53)(H,36,43)(H,37,45)(H,38,52)(H,39,50)(H,40,51)(H,46,47)(H,48,49)(H,55,56)/t16-,18+,19+,20+,21+,22+,27+/m1/s1
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n/an/a 875n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1/Nrf2 (unknown origin) interaction assessed as displacement of FITC-betaAla-DEETGEF-OH from Keap1 Kelch domain after 1 hr by FITC-...


J Med Chem 59: 10837-10858 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00586
BindingDB Entry DOI: 10.7270/Q2377BPQ
More data for this
Ligand-Target Pair
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