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Compile Data Set for Download or QSAR

Found 123 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50180850
PNG
(CHEMBL3819587)
Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of KEAP1/NRF2 interaction in human BEAS2B cells assessed as induction of NQO1 specific activity incubated for 48 hrs measured on day 4 pos...


J Med Chem 59: 3991-4006 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50180850
PNG
(CHEMBL3819587)
Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of HO-1 mRNA expression incubated fo...


J Med Chem 59: 3991-4006 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50180850
PNG
(CHEMBL3819587)
Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of NQO1 mRNA expression incubated fo...


J Med Chem 59: 3991-4006 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50180850
PNG
(CHEMBL3819587)
Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
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n/an/an/an/a 27n/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of TXNRD1 mRNA expression incubated ...


J Med Chem 59: 3991-4006 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT
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)


Article DOI: 10.1021/acs.jmedchem.5b00602
BindingDB Entry DOI: 10.7270/Q2FN181B
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50180850
PNG
(CHEMBL3819587)
Show SMILES COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
Show InChI InChI=1S/C28H30N4O6S/c1-17-9-10-19(22(14-27(33)34)20-12-23-28(25(13-20)37-4)31(3)30-29-23)11-21(17)16-32-15-18(2)38-24-7-5-6-8-26(24)39(32,35)36/h5-13,18,22H,14-16H2,1-4H3,(H,33,34)/t18-,22+/m1/s1
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n/an/an/an/a 36n/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of KEAP1/NRF2 interaction in human bronchial epithelial cells from COPD patient assessed as induction of GCLM mRNA expression incubated fo...


J Med Chem 59: 3991-4006 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00228
BindingDB Entry DOI: 10.7270/Q25T3NDT
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212208
PNG
(CHEMBL3935576)
Show SMILES Fc1cccc(\C=C\c2cc(F)ccc2F)c1
Show InChI InChI=1S/C14H9F3/c15-12-3-1-2-10(8-12)4-5-11-9-13(16)6-7-14(11)17/h1-9H/b5-4+
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n/an/an/an/a 300n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212076
PNG
(CHEMBL3962219)
Show SMILES Fc1cccc(\C=C\c2ccc(F)cc2F)c1
Show InChI InChI=1S/C14H9F3/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)9-14(11)17/h1-9H/b5-4+
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n/an/an/an/a 450n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212115
PNG
(CHEMBL2261005)
Show SMILES Fc1ccc(\C=C\c2cccc(F)c2)cc1
Show InChI InChI=1S/C14H10F2/c15-13-8-6-11(7-9-13)4-5-12-2-1-3-14(16)10-12/h1-10H/b5-4+
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n/an/an/an/a 650n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212105
PNG
(CHEMBL3960954)
Show SMILES Fc1ccccc1\C=C\c1ccccc1
Show InChI InChI=1S/C14H11F/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
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n/an/an/an/a 700n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212213
PNG
(CHEMBL3973512)
Show SMILES Cc1ccc(\C=C\c2cccc(F)c2)cc1
Show InChI InChI=1S/C15H13F/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(16)11-14/h2-11H,1H3/b10-9+
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n/an/an/an/a 800n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212212
PNG
(CHEMBL3220144)
Show SMILES COc1ccc(\C=C\c2cc(OC)ccc2OC)c(OC)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-9-10-17(21-3)14(11-15)6-5-13-7-8-16(20-2)12-18(13)22-4/h5-12H,1-4H3/b6-5+
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University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
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


J Med Chem 57: 5638-48 (2014)


Article DOI: 10.1021/jm500308c
BindingDB Entry DOI: 10.7270/Q2HT2QWN
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212117
PNG
(CHEMBL2261007)
Show SMILES Fc1ccc(\C=C\c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C14H9F3/c15-12-6-2-10(3-7-12)1-4-11-5-8-13(16)9-14(11)17/h1-9H/b4-1+
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n/an/an/an/a 900n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212114
PNG
(CHEMBL3891875)
Show SMILES Fc1cccc(\C=C\c2cccc(F)c2)c1
Show InChI InChI=1S/C14H10F2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-10H/b8-7+
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212201
PNG
(CHEMBL3945022)
Show SMILES COc1cccc(\C=C\c2ccc(C)cc2)c1OC
Show InChI InChI=1S/C17H18O2/c1-13-7-9-14(10-8-13)11-12-15-5-4-6-16(18-2)17(15)19-3/h4-12H,1-3H3/b12-11+
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n/an/an/an/a 1.10E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50073654
PNG
(4-(Methylsulfinyl)Butyl Isothiocyanate | CHEBI:478...)
Show SMILES C[S+]([O-])CCCCN=C=S
Show InChI InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212106
PNG
(CHEMBL2261016)
Show SMILES Cc1ccc(\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13F/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14/h2-11H,1H3/b7-6+
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n/an/an/an/a 1.30E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212205
PNG
(CHEMBL2261529)
Show SMILES Cc1ccc(\C=C\c2ccccc2F)cc1
Show InChI InChI=1S/C15H13F/c1-12-6-8-13(9-7-12)10-11-14-4-2-3-5-15(14)16/h2-11H,1H3/b11-10+
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n/an/an/an/a 1.40E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212087
PNG
(CHEMBL3932493)
Show SMILES Fc1ccccc1\C=C\c1c(F)cccc1F
Show InChI InChI=1S/C14H9F3/c15-12-5-2-1-4-10(12)8-9-11-13(16)6-3-7-14(11)17/h1-9H/b9-8+
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n/an/an/an/a 1.40E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212078
PNG
(CHEMBL3926781)
Show SMILES Cc1ccc(\C=C\c2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C16H13F3/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17,18)19/h2-11H,1H3/b10-9+
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n/an/an/an/a 1.50E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212074
PNG
(CHEMBL3960809)
Show SMILES Fc1ccccc1\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClF/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-10H/b8-5+
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n/an/an/an/a 1.60E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212202
PNG
(CHEMBL3936138)
Show SMILES COc1cccc(\C=C\c2cccc(F)c2)c1OC
Show InChI InChI=1S/C16H15FO2/c1-18-15-8-4-6-13(16(15)19-2)10-9-12-5-3-7-14(17)11-12/h3-11H,1-2H3/b10-9+
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n/an/an/an/a 1.90E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212209
PNG
(CHEMBL3978331)
Show SMILES Cc1ccc(\C=C\c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C15H12F2/c1-11-2-4-12(5-3-11)6-7-13-8-9-14(16)10-15(13)17/h2-10H,1H3/b7-6+
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212199
PNG
(CHEMBL3972608)
Show SMILES COc1cccc(\C=C\c2ccc(cc2)C(F)(F)F)c1OC
Show InChI InChI=1S/C17H15F3O2/c1-21-15-5-3-4-13(16(15)22-2)9-6-12-7-10-14(11-8-12)17(18,19)20/h3-11H,1-2H3/b9-6+
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n/an/an/an/a 2.20E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
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=1S/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-/m1/s1
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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)


Article DOI: 10.1021/acs.jmedchem.5b00602
BindingDB Entry DOI: 10.7270/Q2FN181B
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212200
PNG
(CHEMBL3961457)
Show SMILES COc1cccc(\C=C\c2cccc(F)c2)c1
Show InChI InChI=1S/C15H13FO/c1-17-15-7-3-5-13(11-15)9-8-12-4-2-6-14(16)10-12/h2-11H,1H3/b9-8+
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n/an/an/an/a 2.30E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212112
PNG
(CHEMBL3915421)
Show SMILES Cc1ccc(\C=C\c2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C15H12F2/c1-11-2-4-12(5-3-11)6-7-13-8-9-14(16)15(17)10-13/h2-10H,1H3/b7-6+
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n/an/an/an/a 2.60E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212109
PNG
(CHEMBL1173003)
Show SMILES COc1ccc(\C=C\c2ccc(F)cc2)cc1OC
Show InChI InChI=1S/C16H15FO2/c1-18-15-10-7-13(11-16(15)19-2)4-3-12-5-8-14(17)9-6-12/h3-11H,1-2H3/b4-3+
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n/an/an/an/a 2.60E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
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)


Article DOI: 10.1021/acs.jmedchem.5b00602
BindingDB Entry DOI: 10.7270/Q2FN181B
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212079
PNG
(CHEMBL3918400)
Show SMILES COc1cccc(\C=C\c2ccc(cc2)C(C)C)c1OC
Show InChI InChI=1S/C19H22O2/c1-14(2)16-11-8-15(9-12-16)10-13-17-6-5-7-18(20-3)19(17)21-4/h5-14H,1-4H3/b13-10+
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n/an/an/an/a 2.70E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212203
PNG
(CHEMBL3904117)
Show SMILES COc1cccc(\C=C\c2ccc(F)cc2)c1OC
Show InChI InChI=1S/C16H15FO2/c1-18-15-5-3-4-13(16(15)19-2)9-6-12-7-10-14(17)11-8-12/h3-11H,1-2H3/b9-6+
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n/an/an/an/a 2.90E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212118
PNG
(CHEMBL3970725)
Show SMILES Fc1ccc(\C=C\c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C14H9F3/c15-12-5-2-10(3-6-12)1-4-11-9-13(16)7-8-14(11)17/h1-9H/b4-1+
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n/an/an/an/a 2.90E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
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)


Article DOI: 10.1021/acs.jmedchem.5b00602
BindingDB Entry DOI: 10.7270/Q2FN181B
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212211
PNG
(CHEMBL1896623)
Show SMILES [O-][N+](=O)c1cccc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C14H11NO2/c16-15(17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM150271
PNG
(US8980954, 6j)
Show SMILES COc1ccc(\C=C\c2ccccc2Cl)cc1
Show InChI InChI=1S/C15H13ClO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-11H,1H3/b9-6+
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n/an/an/an/a 3.10E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212107
PNG
(CHEMBL3981507)
Show SMILES COc1ccccc1\C=C\c1ccccc1F
Show InChI InChI=1S/C15H13FO/c1-17-15-9-5-3-7-13(15)11-10-12-6-2-4-8-14(12)16/h2-11H,1H3/b11-10+
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n/an/an/an/a 3.10E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212082
PNG
(CHEMBL3891960)
Show SMILES Fc1cccc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C14H11F/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+
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n/an/an/an/a 3.10E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
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


J Med Chem 57: 5638-48 (2014)


Article DOI: 10.1021/jm500308c
BindingDB Entry DOI: 10.7270/Q2HT2QWN
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212083
PNG
(CHEMBL3943390)
Show SMILES COc1ccc(\C=C\c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C15H12F2O/c1-18-14-7-3-11(4-8-14)2-5-12-10-13(16)6-9-15(12)17/h2-10H,1H3/b5-2+
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n/an/an/an/a 3.20E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212215
PNG
(CHEMBL3912275)
Show SMILES COc1ccc(\C=C\c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H13NO3/c1-19-15-9-7-12(8-10-15)5-6-13-3-2-4-14(11-13)16(17)18/h2-11H,1H3/b6-5+
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n/an/an/an/a 3.30E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212080
PNG
(CHEMBL2261528)
Show SMILES Fc1ccc(\C=C\c2ccccc2F)cc1
Show InChI InChI=1S/C14H10F2/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-10H/b8-5+
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n/an/an/an/a 3.60E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212088
PNG
(CHEMBL3959000)
Show SMILES COc1ccc(\C=C\c2ccc(O)c(OC)c2)cc1
Show InChI InChI=1S/C16H16O3/c1-18-14-8-5-12(6-9-14)3-4-13-7-10-15(17)16(11-13)19-2/h3-11,17H,1-2H3/b4-3+
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n/an/an/an/a 3.70E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212121
PNG
(CHEMBL3965510)
Show SMILES Cc1ccc(\C=C\c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H13NO2/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17)18/h2-11H,1H3/b10-9+
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n/an/an/an/a 3.70E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212073
PNG
(CHEMBL3952774)
Show SMILES COc1cccc(\C=C\c2ccccc2F)c1
Show InChI InChI=1S/C15H13FO/c1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16/h2-11H,1H3/b10-9+
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n/an/an/an/a 3.80E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212084
PNG
(CHEMBL2261527)
Show SMILES COc1ccc(\C=C\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13FO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11H,1H3/b3-2+
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n/an/an/an/a 4.20E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212113
PNG
(CHEMBL3899680)
Show SMILES Fc1ccccc1\C=C\c1ccccc1F
Show InChI InChI=1S/C14H10F2/c15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16/h1-10H/b10-9+
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n/an/an/an/a 4.30E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50140156
PNG
(CHEMBL2387062)
Show SMILES COc1ccccc1\C=C\c1ccccc1
Show InChI InChI=1S/C15H14O/c1-16-15-10-6-5-9-14(15)12-11-13-7-3-2-4-8-13/h2-12H,1H3/b12-11+
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n/an/an/an/a 4.40E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212210
PNG
(CHEMBL3903263)
Show SMILES COc1cccc(\C=C\c2ccccc2OC)c1
Show InChI InChI=1S/C16H16O2/c1-17-15-8-5-6-13(12-15)10-11-14-7-3-4-9-16(14)18-2/h3-12H,1-2H3/b11-10+
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n/an/an/an/a 4.40E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens)
BDBM50212119
PNG
((E)2'',4,4''-Trimethoxystilbene | 6E-2,4,4''-Trime...)
Show SMILES COc1ccc(\C=C\c2ccc(OC)cc2OC)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-9-5-13(6-10-15)4-7-14-8-11-16(19-2)12-17(14)20-3/h4-12H,1-3H3/b7-4+
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n/an/an/an/a 4.60E+3n/an/an/an/a



University of New Mexico

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay


Bioorg Med Chem 25: 1423-1430 (2017)


Article DOI: 10.1016/j.bmc.2017.01.005
More data for this
Ligand-Target Pair
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