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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50006108   
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 (Human))
BDBM50496976
PNG
(CHEMBL3187250)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C21H21NO5S2/c1-12-8-13(2)21(14(3)9-12)29(26,27)22-17-10-18(28-11-19(23)24)20(25)16-7-5-4-6-15(16)17/h4-10,22,25H,11H2,1-3H3,(H,23,24)
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n/an/an/a 4.20E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM82789
PNG
(3-[2-({2,4-dioxo-3-[2-oxo-2-(3-toluidino)ethyl]-1,...)
Show SMILES Cc1cccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c1
Show InChI InChI=1S/C24H19N3O5S/c1-15-5-2-7-17(11-15)25-21(28)14-27-22(29)20(33-24(27)32)13-19-9-4-10-26(19)18-8-3-6-16(12-18)23(30)31/h2-13H,14H2,1H3,(H,25,28)(H,30,31)/b20-13-
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n/an/an/a 6.82E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496978
PNG
(CHEMBL3235883)
Show SMILES COc1ccc(cc1)-n1cccc1\C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O
Show InChI InChI=1S/C24H21N3O4S/c1-16-5-3-6-17(13-16)25-22(28)15-27-23(29)21(32-24(27)30)14-19-7-4-12-26(19)18-8-10-20(31-2)11-9-18/h3-14H,15H2,1-2H3,(H,25,28)/b21-14-
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50013839
PNG
(CHEMBL2030270)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O
Show InChI InChI=1S/C16H13NO5S3/c18-14(19)9-24-13-8-12(10-4-1-2-5-11(10)16(13)20)17-25(21,22)15-6-3-7-23-15/h1-8,17,20H,9H2,(H,18,19)
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n/an/an/a 3.66E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496979
PNG
(CHEMBL3188402)
Show SMILES Cc1cc(F)ccc1S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H16FNO5S2/c1-11-8-12(20)6-7-17(11)28(25,26)21-15-9-16(27-10-18(22)23)19(24)14-5-3-2-4-13(14)15/h2-9,21,24H,10H2,1H3,(H,22,23)
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n/an/an/a 1.22E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496980
PNG
(CHEMBL1481999)
Show SMILES Cc1oc2c(cc(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)c1C(O)=O
Show InChI InChI=1S/C20H14ClNO5S/c1-11-18(20(23)24)16-10-17(14-4-2-3-5-15(14)19(16)27-11)22-28(25,26)13-8-6-12(21)7-9-13/h2-10,22H,1H3,(H,23,24)
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n/an/an/a 7.52E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496981
PNG
(CHEMBL1497487)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nc[nH]n2)c1
Show InChI InChI=1S/C15H14N4O3S2/c1-10-2-5-12(6-3-10)24(21,22)19-11-4-7-13(20)14(8-11)23-15-16-9-17-18-15/h2-9,19-20H,1H3,(H,16,17,18)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496982
PNG
(CHEMBL3235524)
Show SMILES Brc1ccc(cc1)N1NC(=O)\C(=C\c2ccc(o2)-c2ccccc2)C1=O
Show InChI InChI=1S/C20H13BrN2O3/c21-14-6-8-15(9-7-14)23-20(25)17(19(24)22-23)12-16-10-11-18(26-16)13-4-2-1-3-5-13/h1-12H,(H,22,24)/b17-12-
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496983
PNG
(CHEMBL3235525)
Show SMILES Cc1cccc(c1)N1NC(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)S(N)(=O)=O)C1=O
Show InChI InChI=1S/C21H17N3O5S/c1-13-3-2-4-15(11-13)24-21(26)18(20(25)23-24)12-16-7-10-19(29-16)14-5-8-17(9-6-14)30(22,27)28/h2-12H,1H3,(H,23,25)(H2,22,27,28)/b18-12-
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496984
PNG
(CHEMBL3235528)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(F)cc2)o1
Show InChI InChI=1S/C21H14FN3O4/c22-14-5-7-15(8-6-14)25-21(28)17(20(27)24-25)11-16-9-10-18(29-16)12-1-3-13(4-2-12)19(23)26/h1-11H,(H2,23,26)(H,24,27)/b17-11-
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496985
PNG
(CHEMBL1605166)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)NN(C2=O)c2cccc(Cl)c2)o1
Show InChI InChI=1S/C21H13ClN2O5/c22-14-5-2-6-15(10-14)24-20(26)17(19(25)23-24)11-16-7-8-18(29-16)12-3-1-4-13(9-12)21(27)28/h1-11H,(H,23,25)(H,27,28)/b17-11-
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n/an/an/a 4.92E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50143
PNG
(3-[2-({3-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c(C)c1
Show InChI InChI=1S/C25H21N3O5S/c1-15-8-9-20(16(2)11-15)26-22(29)14-28-23(30)21(34-25(28)33)13-19-7-4-10-27(19)18-6-3-5-17(12-18)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32)/b21-13-
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n/an/an/a 4.76E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496986
PNG
(CHEMBL3235530)
Show SMILES COc1ccc(cc1)-n1cccc1\C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O
Show InChI InChI=1S/C24H21N3O4S/c1-16-5-7-17(8-6-16)25-22(28)15-27-23(29)21(32-24(27)30)14-19-4-3-13-26(19)18-9-11-20(31-2)12-10-18/h3-14H,15H2,1-2H3,(H,25,28)/b21-14-
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM52381
PNG
(3-[2-({3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-...)
Show SMILES Cc1cccc(C)c1NC(=O)CN1C(=O)S\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O
Show InChI InChI=1S/C25H21N3O5S/c1-15-6-3-7-16(2)22(15)26-21(29)14-28-23(30)20(34-25(28)33)13-19-10-5-11-27(19)18-9-4-8-17(12-18)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32)/b20-13-
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496987
PNG
(CHEMBL3235879)
Show SMILES OC(=O)c1cccc(c1)-n1cccc1\C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C23H16ClN3O5S/c24-15-6-8-16(9-7-15)25-20(28)13-27-21(29)19(33-23(27)32)12-18-5-2-10-26(18)17-4-1-3-14(11-17)22(30)31/h1-12H,13H2,(H,25,28)(H,30,31)/b19-12-
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496988
PNG
(CHEMBL3235881)
Show SMILES COc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1
Show InChI InChI=1S/C24H19N3O6S/c1-33-19-10-6-16(7-11-19)25-21(28)14-27-22(29)20(34-24(27)32)13-18-3-2-12-26(18)17-8-4-15(5-9-17)23(30)31/h2-13H,14H2,1H3,(H,25,28)(H,30,31)/b20-13-
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n/an/an/a 2.38E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496989
PNG
(CHEMBL3235882)
Show SMILES Oc1ccc(cc1)-n1cccc1\C=C1/SC(=O)N(CC(=O)Nc2ccccc2F)C1=O
Show InChI InChI=1S/C22H16FN3O4S/c23-17-5-1-2-6-18(17)24-20(28)13-26-21(29)19(31-22(26)30)12-15-4-3-11-25(15)14-7-9-16(27)10-8-14/h1-12,27H,13H2,(H,24,28)/b19-12-
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM53290
PNG
(2-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynapht...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14BrNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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n/an/an/a 1.47E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50013851
PNG
(CHEMBL1888104)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14FNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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n/an/an/a 3.02E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50013843
PNG
(CHEMBL1868007)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C19H17NO5S2/c1-12-6-8-13(9-7-12)27(24,25)20-16-10-17(26-11-18(21)22)19(23)15-5-3-2-4-14(15)16/h2-10,20,23H,11H2,1H3,(H,21,22)
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n/an/an/a 1.54E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50076451
PNG
(CHEMBL3235887 | US10208043, # 14 | US10941146, # 1...)
Show SMILES Oc1c(Sc2nc[nH]n2)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
Show InChI InChI=1S/C18H13BrN4O3S2/c19-11-5-7-12(8-6-11)28(25,26)23-15-9-16(27-18-20-10-21-22-18)17(24)14-4-2-1-3-13(14)15/h1-10,23-24H,(H,20,21,22)
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n/an/an/a 1.31E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50076486
PNG
(CHEMBL1335844)
Show SMILES Oc1c(Sc2nc[nH]n2)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H14N4O3S2/c23-17-14-9-5-4-8-13(14)15(10-16(17)26-18-19-11-20-21-18)22-27(24,25)12-6-2-1-3-7-12/h1-11,22-23H,(H,19,20,21)
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n/an/an/a 6.12E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM350108
PNG
(N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12
Show InChI InChI=1S/C20H18N4O4S2/c1-2-28-13-7-9-14(10-8-13)30(26,27)24-17-11-18(29-20-21-12-22-23-20)19(25)16-6-4-3-5-15(16)17/h3-12,24-25H,2H2,1H3,(H,21,22,23)
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n/an/an/a 3.10E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50076449
PNG
(CHEMBL3235890)
Show SMILES Oc1c(Sc2nnnn2-c2ccccc2)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C23H17N5O3S2/c29-22-19-14-8-7-13-18(19)20(25-33(30,31)17-11-5-2-6-12-17)15-21(22)32-23-24-26-27-28(23)16-9-3-1-4-10-16/h1-15,25,29H
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n/an/an/a 5.55E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496990
PNG
(CHEMBL3235893)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12
Show InChI InChI=1S/C26H20N2O3S2/c1-17-11-13-19(14-12-17)33(30,31)28-22-16-24(26(29)21-9-3-2-8-20(21)22)32-23-10-4-6-18-7-5-15-27-25(18)23/h2-16,28-29H,1H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496991
PNG
(CHEMBL3183104)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc(C)cc(C)n2)c(O)c2ccccc12
Show InChI InChI=1S/C23H21N3O3S2/c1-14-8-10-17(11-9-14)31(28,29)26-20-13-21(22(27)19-7-5-4-6-18(19)20)30-23-24-15(2)12-16(3)25-23/h4-13,26-27H,1-3H3
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496992
PNG
(CHEMBL3185602)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2cccc3cccnc23)c2ccccc2c1O
Show InChI InChI=1S/C21H16N2O5S2/c24-19(25)12-29-17-11-16(14-7-1-2-8-15(14)21(17)26)23-30(27,28)18-9-3-5-13-6-4-10-22-20(13)18/h1-11,23,26H,12H2,(H,24,25)
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n/an/an/a 1.89E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496993
PNG
(CHEMBL3235896)
Show SMILES CC(=O)Oc1c(SCC(O)=O)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C20H16FNO6S2/c1-12(23)28-20-16-5-3-2-4-15(16)17(10-18(20)29-11-19(24)25)22-30(26,27)14-8-6-13(21)7-9-14/h2-10,22H,11H2,1H3,(H,24,25)
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496994
PNG
(CHEMBL3235897)
Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc2sc(=O)oc2c2ccccc12
Show InChI InChI=1S/C20H17NO4S2/c1-11-8-13(3)18(9-12(11)2)27(23,24)21-16-10-17-19(25-20(22)26-17)15-7-5-4-6-14(15)16/h4-10,21H,1-3H3
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM52379
PNG
(3-[2-({2,4-dioxo-3-[2-oxo-2-(2-toluidino)ethyl]-1,...)
Show SMILES Cc1ccccc1NC(=O)CN1C(=O)S\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O
Show InChI InChI=1S/C24H19N3O5S/c1-15-6-2-3-10-19(15)25-21(28)14-27-22(29)20(33-24(27)32)13-18-9-5-11-26(18)17-8-4-7-16(12-17)23(30)31/h2-13H,14H2,1H3,(H,25,28)(H,30,31)/b20-13-
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n/an/an/a 1.04E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM350111
PNG
(N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...)
Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12
Show InChI InChI=1S/C21H20N4O3S2/c1-12-8-14(3)19(9-13(12)2)30(27,28)25-17-10-18(29-21-22-11-23-24-21)20(26)16-7-5-4-6-15(16)17/h4-11,25-26H,1-3H3,(H,22,23,24)
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n/an/an/a 3.60E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496995
PNG
(CHEMBL3235903)
Show SMILES Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc(Cl)c(O)c(Sc2nc[nH]n2)c1
Show InChI InChI=1S/C17H17ClN4O3S2/c1-9-4-11(3)15(5-10(9)2)27(24,25)22-12-6-13(18)16(23)14(7-12)26-17-19-8-20-21-17/h4-8,22-23H,1-3H3,(H,19,20,21)
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n/an/an/a 2.09E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496996
PNG
(CHEMBL3235899)
Show SMILES CN1\C(S\C(=C/c2c(C)n(CC(O)=O)c3ccccc23)C1=O)=N/c1ccc(C)cc1
Show InChI InChI=1S/C23H21N3O3S/c1-14-8-10-16(11-9-14)24-23-25(3)22(29)20(30-23)12-18-15(2)26(13-21(27)28)19-7-5-4-6-17(18)19/h4-12H,13H2,1-3H3,(H,27,28)/b20-12-,24-23+
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n/an/an/a 3.54E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496997
PNG
(CHEMBL3235522)
Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccccc2)o1
Show InChI InChI=1S/C21H13ClN2O5/c22-17-10-12(6-8-15(17)21(27)28)18-9-7-14(29-18)11-16-19(25)23-24(20(16)26)13-4-2-1-3-5-13/h1-11H,(H,23,25)(H,27,28)/b16-11-
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n/an/an/a 4.29E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496998
PNG
(CHEMBL3235529)
Show SMILES OC(=O)c1cc(Br)ccc1-c1ccc(\C=C2\C(=O)NN(C2=O)c2cccc(Cl)c2)o1
Show InChI InChI=1S/C21H12BrClN2O5/c22-11-4-6-15(16(8-11)21(28)29)18-7-5-14(30-18)10-17-19(26)24-25(20(17)27)13-3-1-2-12(23)9-13/h1-10H,(H,24,26)(H,28,29)/b17-10-
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n/an/an/a 3.95E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM51773
PNG
(3-[2-({3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-...)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1C
Show InChI InChI=1S/C25H21N3O5S/c1-15-8-9-18(11-16(15)2)26-22(29)14-28-23(30)21(34-25(28)33)13-20-7-4-10-27(20)19-6-3-5-17(12-19)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32)/b21-13-
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n/an/an/a 2.89E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50496999
PNG
(CHEMBL3235880)
Show SMILES OC(=O)c1cccc(c1)-n1cccc1\C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C23H16FN3O5S/c24-15-6-8-16(9-7-15)25-20(28)13-27-21(29)19(33-23(27)32)12-18-5-2-10-26(18)17-4-1-3-14(11-17)22(30)31/h1-12H,13H2,(H,25,28)(H,30,31)/b19-12-
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50497000
PNG
(CHEMBL3235885)
Show SMILES Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3C)C2=O)c(C)c1
Show InChI InChI=1S/C19H19N3O3S/c1-12-6-7-15(13(2)9-12)20-17(23)11-22-18(24)16(26-19(22)25)10-14-5-4-8-21(14)3/h4-10H,11H2,1-3H3,(H,20,23)/b16-10-
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University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM53262
PNG
(2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaph...)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O
Show InChI InChI=1S/C18H14ClNO5S2/c19-11-5-7-12(8-6-11)27(24,25)20-15-9-16(26-10-17(21)22)18(23)14-4-2-1-3-13(14)15/h1-9,20,23H,10H2,(H,21,22)
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n/an/an/a 1.53E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50013844
PNG
(CHEMBL3235886)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
Show InChI InChI=1S/C21H21NO5S2/c1-13(2)14-7-9-15(10-8-14)29(26,27)22-18-11-19(28-12-20(23)24)21(25)17-6-4-3-5-16(17)18/h3-11,13,22,25H,12H2,1-2H3,(H,23,24)
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n/an/an/a 6.40E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50497001
PNG
(CHEMBL3235889)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12
Show InChI InChI=1S/C24H18N2O3S3/c1-15-10-12-16(13-11-15)32(28,29)26-20-14-22(23(27)18-7-3-2-6-17(18)20)31-24-25-19-8-4-5-9-21(19)30-24/h2-14,26-27H,1H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50420797
PNG
(CHEMBL2030281)
Show SMILES Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc12
Show InChI InChI=1S/C22H16N4O3S2/c27-21-18-8-4-3-7-17(18)19(12-20(21)30-22-23-13-24-25-22)26-31(28,29)16-10-9-14-5-1-2-6-15(14)11-16/h1-13,26-27H,(H,23,24,25)
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n/an/an/a 3.60E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM350109
PNG
(N-(3-(1H-1,2,4-triazol-3- ylthio)-4- hydroxynaphth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12
Show InChI InChI=1S/C19H16N4O4S2/c1-27-12-6-8-13(9-7-12)29(25,26)23-16-10-17(28-19-20-11-21-22-19)18(24)15-5-3-2-4-14(15)16/h2-11,23-24H,1H3,(H,20,21,22)
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n/an/an/a 6.80E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50497002
PNG
(CHEMBL3235900)
Show SMILES CCOc1cc(\C=C2/N=C(OC2=O)c2ccccc2)cc(Br)c1OCC(O)=O |c:8|
Show InChI InChI=1S/C20H16BrNO6/c1-2-26-16-10-12(8-14(21)18(16)27-11-17(23)24)9-15-20(25)28-19(22-15)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,23,24)/b15-9-
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n/an/an/a 2.95E+4n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50497003
PNG
(CHEMBL3235894)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cc(SCc2ccco2)c(O)c2ccccc12
Show InChI InChI=1S/C25H25NO4S2/c1-25(2,3)17-10-12-19(13-11-17)32(28,29)26-22-15-23(31-16-18-7-6-14-30-18)24(27)21-9-5-4-8-20(21)22/h4-15,26-27H,16H2,1-3H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
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/a 2.90E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50013861
PNG
(CHEMBL3235895)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O
Show InChI InChI=1S/C22H17NO5S2/c24-21(25)13-29-20-12-19(17-7-3-4-8-18(17)22(20)26)23-30(27,28)16-10-9-14-5-1-2-6-15(14)11-16/h1-12,23,26H,13H2,(H,24,25)
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n/an/an/a 7.80E+3n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50497004
PNG
(CHEMBL3235527)
Show SMILES Cc1ccc(cc1)N1NC(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)S(=O)(=O)Nc2nccs2)C1=O
Show InChI InChI=1S/C24H18N4O5S2/c1-15-2-6-17(7-3-15)28-23(30)20(22(29)26-28)14-18-8-11-21(33-18)16-4-9-19(10-5-16)35(31,32)27-24-25-12-13-34-24/h2-14H,1H3,(H,25,27)(H,26,29)/b20-14-
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50497005
PNG
(CHEMBL3235884)
Show SMILES CN1C(=O)S\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O
Show InChI InChI=1S/C16H12N2O4S/c1-17-14(19)13(23-16(17)22)9-12-6-3-7-18(12)11-5-2-4-10(8-11)15(20)21/h2-9H,1H3,(H,20,21)/b13-9-
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50497006
PNG
(CHEMBL3235891)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2ccccc2)c(O)c2ccccc12
Show InChI InChI=1S/C23H19NO4S2/c1-28-16-11-13-18(14-12-16)30(26,27)24-21-15-22(29-17-7-3-2-4-8-17)23(25)20-10-6-5-9-19(20)21/h2-15,24-25H,1H3
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n/an/an/a>1.00E+5n/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as compound's equilibrium dissociation constant after 60 mins by fluorescence anisotro...


J Med Chem 57: 1121-6 (2014)


Article DOI: 10.1021/jm4017174
BindingDB Entry DOI: 10.7270/Q261139G
More data for this
Ligand-Target Pair
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