BindingDB PrimarySearch

BDBM50076479 CHEMBL3235901

SMILES: CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nc[nH]n2)c(O)c2ccccc12

InChI Key: InChIKey=MFEOAVQPFYZKIH-UHFFFAOYSA-N

Data: 1 KI 4 IC50 2 Kd 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50076479
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))	BDBM50076479 (CHEMBL3235901) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10E+4	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
Histone acetyltransferase GCN5 (Saccharomyces cerevisiae S288c)	BDBM50076479 (CHEMBL3235901) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic College of Medicine Curated by ChEMBL					Assay Description Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz...				J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9
Mayo Clinic College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50076479 (CHEMBL3235901) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.90E+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
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50076479 (CHEMBL3235901) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of FAM-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measur...				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
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50076479 (CHEMBL3235901) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of FAM-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measur...				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
KEAP1/Cullin-3/Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50076479 (CHEMBL3235901) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>5.00E+5	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
Histone acetyltransferase GCN5 (Saccharomyces cerevisiae S288c)	BDBM50076479 (CHEMBL3235901) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic College of Medicine Curated by ChEMBL					Assay Description Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenz...				J Med Chem 58: 2091-113 (2015) Article DOI: 10.1021/jm5019093 BindingDB Entry DOI: 10.7270/Q26M38J9
Mayo Clinic College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2 (Homo sapiens (Human))	BDBM50076479 (CHEMBL3235901) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/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
University of Minnesota Curated by ChEMBL					More data for this Ligand-Target Pair