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Found 48 hits Enz. Inhib. hit(s) with Target = 'Nuclear factor erythroid 2-related factor 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50109400
PNG
(CHEMBL3601205)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O8S2/c1-17-3-11-21(12-4-17)35(31,32)25(15-23(27)28)19-7-9-20(10-8-19)26(16-24(29)30)36(33,34)22-13-5-18(2)6-14-22/h3-14H,15-16H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 966n/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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50109370
PNG
(CHEMBL3601214)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc12
Show InChI InChI=1S/C32H34N2O8S2/c1-19-13-21(3)31(22(4)14-19)43(39,40)33(17-29(35)36)27-11-12-28(26-10-8-7-9-25(26)27)34(18-30(37)38)44(41,42)32-23(5)15-20(2)16-24(32)6/h7-16H,17-18H2,1-6H3,(H,35,36)(H,37,38)
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n/an/a 979n/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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50109399
PNG
(CHEMBL3600957)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C24H24N2O10S2/c1-35-19-7-11-21(12-8-19)37(31,32)25(15-23(27)28)17-3-5-18(6-4-17)26(16-24(29)30)38(33,34)22-13-9-20(36-2)10-14-22/h3-14H,15-16H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 1.45E+3n/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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50109401
PNG
(CHEMBL3601206)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c(C)c1
Show InChI InChI=1S/C25H26N2O10S2/c1-17-14-18(26(15-24(28)29)38(32,33)21-9-5-19(36-2)6-10-21)4-13-23(17)27(16-25(30)31)39(34,35)22-11-7-20(37-3)8-12-22/h4-14H,15-16H2,1-3H3,(H,28,29)(H,30,31)
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n/an/a 1.67E+3n/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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50109397
PNG
(CHEMBL3601222)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cccc2c(cccc12)N(CC(O)=O)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C28H26N2O10S2/c1-39-19-9-13-21(14-10-19)41(35,36)29(17-27(31)32)25-7-3-6-24-23(25)5-4-8-26(24)30(18-28(33)34)42(37,38)22-15-11-20(40-2)12-16-22/h3-16H,17-18H2,1-2H3,(H,31,32)(H,33,34)
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n/an/a 1.86E+3n/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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50109398
PNG
(CHEMBL2381968)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21+,22-/s2
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n/an/a 3.00E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction by fluorescence polarization assay


J Med Chem 58: 6410-21 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50109402
PNG
(CHEMBL3601207)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cc(C)c(cc1C)N(CC(O)=O)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C26H28N2O10S2/c1-17-13-24(28(16-26(31)32)40(35,36)22-11-7-20(38-4)8-12-22)18(2)14-23(17)27(15-25(29)30)39(33,34)21-9-5-19(37-3)6-10-21/h5-14H,15-16H2,1-4H3,(H,29,30)(H,31,32)
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n/an/a 1.02E+4n/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)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50109398
PNG
(CHEMBL2381968)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O
Show InChI InChI=1/C26H26N2O5/c29-23(20-11-5-6-12-21(20)26(32)33)27-14-13-16-7-1-2-8-17(16)22(27)15-28-24(30)18-9-3-4-10-19(18)25(28)31/h1-4,7-10,20-22H,5-6,11-15H2,(H,32,33)/t20-,21+,22-/s2
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n/an/an/an/a 2.30E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120421
PNG
(CHEMBL2402206)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)c1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)[nH]c1=O
Show InChI InChI=1S/C21H18F3N3O4S2/c1-12-7-8-16(13(2)9-12)33(30,31)17-10-25-20(27-19(17)29)32-11-18(28)26-15-6-4-3-5-14(15)21(22,23)24/h3-10H,11H2,1-2H3,(H,26,28)(H,25,27,29)
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n/an/an/an/a 1.18E+5n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50006931
PNG
(CHEMBL2402207)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C24H22N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16,25-26H,1-2H3
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n/an/an/an/a 2.70E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50076479
PNG
(CHEMBL3235901)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12
Show InChI InChI=1S/C21H20N4O3S2/c1-13(2)14-7-9-15(10-8-14)30(27,28)25-18-11-19(29-21-22-12-23-24-21)20(26)17-6-4-3-5-16(17)18/h3-13,25-26H,1-2H3,(H,22,23,24)
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n/an/an/an/a 2.90E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120420
PNG
(CHEMBL3134423)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)C(O)=O)o1
Show InChI InChI=1S/C25H18N4O7/c30-23(31)17-5-1-15(2-6-17)21-11-9-19(35-21)13-26-28-25(34)29-27-14-20-10-12-22(36-20)16-3-7-18(8-4-16)24(32)33/h1-14H,(H,30,31)(H,32,33)(H2,28,29,34)/b26-13+,27-14+
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n/an/an/an/a 9.80E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120419
PNG
(CHEMBL3617788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1/C44H66N12O14/c1-6-22(4)36(42(68)54-30(18-34(59)60)40(66)55-32(43(69)70)16-21(2)3)56-41(67)31(19-35(61)62)53-38(64)28(13-14-33(45)58)52-37(63)27(12-9-15-48-44(46)47)51-39(65)29(50-23(5)57)17-24-20-49-26-11-8-7-10-25(24)26/h7-8,10-11,20-22,27-32,36,49H,6,9,12-19H2,1-5H3,(H2,45,58)(H,50,57)(H,51,65)(H,52,63)(H,53,64)(H,54,68)(H,55,66)(H,56,67)(H,59,60)(H,61,62)(H,69,70)(H4,46,47,48)/t22-,27-,28-,29-,30-,31-,32-,36-/s2
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n/an/an/an/a 1.71E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120418
PNG
(CHEMBL3617787)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1/C36H49N7O18/c1-17(44)30(35(59)37-16-25(46)39-20(8-11-26(47)48)31(55)42-24(36(60)61)14-19-6-4-3-5-7-19)43-33(57)22(10-13-28(51)52)40-32(56)21(9-12-27(49)50)41-34(58)23(15-29(53)54)38-18(2)45/h3-7,17,20-24,30,44H,8-16H2,1-2H3,(H,37,59)(H,38,45)(H,39,46)(H,40,56)(H,41,58)(H,42,55)(H,43,57)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,60,61)/t17-,20+,21+,22+,23+,24+,30+/s2
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n/an/an/an/a 5.40E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120417
PNG
(CHEMBL3617836)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(I)c1
Show InChI InChI=1S/C14H9IN4O2/c15-11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(20)21/h1-9H
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n/an/an/an/a 7.10E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120416
PNG
(CHEMBL3617835)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(Br)c1
Show InChI InChI=1S/C14H9BrN4O2/c15-11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(20)21/h1-9H
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n/an/an/an/a 2.45E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120415
PNG
(CHEMBL3617834)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H9ClN4O2/c15-11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(20)21/h1-9H
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n/an/an/an/a 8.80E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120414
PNG
(CHEMBL3617832)
Show SMILES CN(C)c1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H15N5O2/c1-19(2)13-6-4-7-14(10-13)20-11-16(17-18-20)12-5-3-8-15(9-12)21(22)23/h3-11H,1-2H3
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n/an/an/an/a 1.27E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120413
PNG
(CHEMBL3617831)
Show SMILES CSc1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O2S/c1-22-14-7-3-5-12(9-14)18-10-15(16-17-18)11-4-2-6-13(8-11)19(20)21/h2-10H,1H3
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n/an/an/an/a 3.85E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120412
PNG
(CHEMBL3617830)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C15H10N4O4/c20-19(21)12-3-1-2-10(6-12)13-8-18(17-16-13)11-4-5-14-15(7-11)23-9-22-14/h1-8H,9H2
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n/an/an/an/a 1.50E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120411
PNG
(CHEMBL3617829)
Show SMILES CCOc1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H14N4O3/c1-2-23-15-8-4-6-13(10-15)19-11-16(17-18-19)12-5-3-7-14(9-12)20(21)22/h3-11H,2H2,1H3
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n/an/an/an/a 1.13E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120410
PNG
(CHEMBL3617828)
Show SMILES COc1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O3/c1-22-14-7-3-5-12(9-14)18-10-15(16-17-18)11-4-2-6-13(8-11)19(20)21/h2-10H,1H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120409
PNG
(CHEMBL3617827)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H9F3N4O2/c16-15(17,18)11-4-2-5-12(8-11)21-9-14(19-20-21)10-3-1-6-13(7-10)22(23)24/h1-9H
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n/an/an/an/a 2.26E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120408
PNG
(CHEMBL3617826)
Show SMILES CC(C)(C)c1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H18N4O2/c1-18(2,3)14-7-5-8-15(11-14)21-12-17(19-20-21)13-6-4-9-16(10-13)22(23)24/h4-12H,1-3H3
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n/an/an/an/a 3.78E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120407
PNG
(CHEMBL3617825)
Show SMILES Cc1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N4O2/c1-11-4-2-6-13(8-11)18-10-15(16-17-18)12-5-3-7-14(9-12)19(20)21/h2-10H,1H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120405
PNG
(CHEMBL3617824)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C14H10N4O2/c19-18(20)13-8-4-5-11(9-13)14-10-17(16-15-14)12-6-2-1-3-7-12/h1-10H
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n/an/an/an/a 2.06E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120403
PNG
(CHEMBL3617798)
Show SMILES OC(=O)c1cccc(c1)-n1cc(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H10N4O4/c20-15(21)11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(22)23/h1-9H,(H,20,21)
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n/an/an/an/a 5.00E+3n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120402
PNG
(CHEMBL3617796)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cn(nn1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H9N5O4/c20-18(21)12-5-1-3-10(7-12)14-9-17(16-15-14)11-4-2-6-13(8-11)19(22)23/h1-9H
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n/an/an/an/a 1.15E+4n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of kelch domain of Keap1 (unknown origin) interaction to high affinity ETGE motif from Nrf2 by fluorescence polarization assay


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/an/an/a 9.90E+3n/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50020587
PNG
(CHEMBL3290185)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O
Show InChI InChI=1S/C21H18F2O6/c1-28-18-9-12(7-16(22)20(18)26)3-5-14(24)11-15(25)6-4-13-8-17(23)21(27)19(10-13)29-2/h3-10,26-27H,11H2,1-2H3/b5-3+,6-4+
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n/an/an/an/a 8.60E+3n/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50120422
PNG
(CHEMBL3617852)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12
Show InChI InChI=1S/C26H24N2O8S2/c1-35-18-7-11-20(12-8-18)37(31,32)27-24-15-16-25(23-6-4-3-5-22(23)24)28(17-26(29)30)38(33,34)21-13-9-19(36-2)10-14-21/h3-16,27H,17H2,1-2H3,(H,29,30)
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n/an/an/an/a 29n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Keap1 (unknown origin) interaction to Nrf2


J Med Chem 58: 7186-94 (2015)

More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50067028
PNG
((1E,4E)-1,5-Bis-(4-hydroxy-3-methoxy-phenyl)-penta...)
Show SMILES COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3+,8-4+
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n/an/an/an/a 900n/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone


Citation and Details
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50020585
PNG
(CHEMBL3290186)
Show SMILES COc1cc(\C=C\C(=O)\C=C\c2cc(F)c(O)c(OC)c2)cc(F)c1O
Show InChI InChI=1S/C19H16F2O5/c1-25-16-9-11(7-14(20)18(16)23)3-5-13(22)6-4-12-8-15(21)19(24)17(10-12)26-2/h3-10,23-24H,1-2H3/b5-3+,6-4+
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n/an/an/an/a 3.10E+3n/an/an/an/a



University Jena

Curated by ChEMBL


Assay Description
Activation of Nrf2 transcriptional activity in human LNCaP cells after 6 hrs by luciferase reporter gene assay relative to tert-butylhydroquinone


Citation and Details
More data for this
Ligand-Target Pair