BindingDB PrimarySearch

BDBM50109398 CHEMBL2381968

SMILES: OC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=LNENLABLFGGAFF-BHIFYINESA-N

Data: 1 KI 3 IC50 3 Kd 4 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50109398
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measu...				J Med Chem 62: 8028-8052 (2019) Article DOI: 10.1021/acs.jmedchem.9b00723
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of Keap1 (unknown origin) interaction to Nrf2				J Med Chem 58: 7186-94 (2015) BindingDB Entry DOI: 10.7270/Q2FN181B
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/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
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
The State University of New Jersey Curated by ChEMBL					Assay Description Binding affinity to Keap1 kelch domain (unknown origin) by competitive SPR assay				Bioorg Med Chem Lett 23: 3039-43 (2013) Article DOI: 10.1016/j.bmcl.2013.03.013 BindingDB Entry DOI: 10.7270/Q2V98C02
The State University of New Jersey Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/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
The State University of New Jersey Curated by ChEMBL					More data for this Ligand-Target Pair
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Binding affinity to KEAP1 interaction with Nrf2 (unknown origin) by SRP assay				J Med Chem 63: 7957-7985 (2020)
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as thermal stabiliza...				J Med Chem 62: 8028-8052 (2019) Article DOI: 10.1021/acs.jmedchem.9b00723
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ...				J Med Chem 62: 8028-8052 (2019) Article DOI: 10.1021/acs.jmedchem.9b00723
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	792	n/a	n/a	n/a	n/a	n/a	n/a
IRBM S.p.A. Curated by ChEMBL					Assay Description Displacement of AF647-9-mer ETGE peptide from recombinant human biotinylated KEAP1 Kelch domain (322 to 609 residues) expressed in Escherichia coli B...				ACS Med Chem Lett 11: 740-746 (2020)
IRBM S.p.A. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2CR5W5H
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50109398 (CHEMBL2381968) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/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
The State University of New Jersey Curated by ChEMBL					More data for this Ligand-Target Pair