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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Nuclear factor erythroid 2-related factor 2' and Ligand = 'BDBM50109398'   
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))
BDBM50109398
PNG
(CHEMBL2381968)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O |r|
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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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


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


J Med Chem 61: 8088-8103 (2018)


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


(Homo sapiens (Human))
BDBM50109398
PNG
(CHEMBL2381968)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O |r|
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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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


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


J Med Chem 58: 6410-21 (2015)


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


(Homo sapiens (Human))
BDBM50109398
PNG
(CHEMBL2381968)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O |r|
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 (Human))
BDBM50109398
PNG
(CHEMBL2381968)
Show SMILES OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O |r|
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 1.80E+4n/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 interaction in human HepG2 cells expressing ARE-bla assessed as activation of antioxidant response element by beta-lactamase...


Bioorg Med Chem Lett 23: 3039-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.013
BindingDB Entry DOI: 10.7270/Q2V98C02
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 |r|
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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Article
PubMed
n/an/an/an/a 1.20E+4n/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of Keap1-Nrf2 interaction in human U2OS cells assessed as Nrf2 nuclear translocation by beta-lactamase reporter assay


Bioorg Med Chem Lett 23: 3039-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.013
BindingDB Entry DOI: 10.7270/Q2V98C02
More data for this
Ligand-Target Pair