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Compile Data Set for Download or QSAR

Found 34 hits of ic50 data for polymerid = 50006637   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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...


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


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


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


(Homo sapiens (Human))
BDBM50200461
PNG
(CHEMBL3946369)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
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n/an/a 22n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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


J Med Chem 59: 10837-10858 (2016)

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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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



China Pharmaceutical University

Curated by ChEMBL


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


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


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


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


(Homo sapiens (Human))
BDBM50205342
PNG
(CHEMBL3962296)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(CCCC(O)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
PDB

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n/an/a 150n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


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


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

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


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


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


(Homo sapiens (Human))
BDBM50205336
PNG
(CHEMBL3925906)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
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Keio University

Curated by ChEMBL


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


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

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


(Homo sapiens (Human))
BDBM50205341
PNG
(CHEMBL3928944)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(CCC(O)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
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Keio University

Curated by ChEMBL


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


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

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


(Homo sapiens (Human))
BDBM50205337
PNG
(CHEMBL3906697)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(CC(O)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
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Keio University

Curated by ChEMBL


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


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

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


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


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


(Homo sapiens (Human))
BDBM50200474
PNG
(CHEMBL3965182)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(N)=O
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China Pharmaceutical University

Curated by ChEMBL


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


J Med Chem 59: 10837-10858 (2016)

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


(Homo sapiens (Human))
BDBM50205343
PNG
(CHEMBL3953535)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(=O)OC)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
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n/an/a 720n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


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


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

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


(Homo sapiens (Human))
BDBM50200468
PNG
(CHEMBL3919787)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(C)=O)[C@@H](C)O)C(O)=O
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n/an/a 875n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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


J Med Chem 59: 10837-10858 (2016)

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


(Homo sapiens (Human))
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...


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


(Homo sapiens (Human))
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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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...


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


(Homo sapiens (Human))
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...


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


(Homo sapiens (Human))
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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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...


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


(Homo sapiens (Human))
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/a 1.80E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


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


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

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


(Homo sapiens (Human))
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...


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


(Homo sapiens (Human))
BDBM50205339
PNG
(CHEMBL3939457)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
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n/an/a 2.80E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


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


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

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


(Homo sapiens (Human))
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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China Pharmaceutical University

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50205340
PNG
(CHEMBL3977467)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cc(CC(C)=O)c(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc12
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Keio University

Curated by ChEMBL


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


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

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


(Homo sapiens (Human))
BDBM50205338
PNG
(CHEMBL3948237)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)Nc1cc(CC(C)=O)c(NS(=O)(=O)c2ccc(OCC)cc2)c2ccccc12
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n/an/a 6.20E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


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


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

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


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair