BDBM304768 3-(3-((1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)-4-methylphenyl)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)propanoic acid::US10144731, Example 57

SMILES COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN2CCOc3ccccc3S2(=O)=O)c1

InChI Key InChIKey=RTGHTXKISWZXKJ-UHFFFAOYSA-N

Data  2 IC50  1 Kd  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 304768   

TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
Glaxosmithkline

US Patent
LigandPNGBDBM304768(3-(3-((1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]o...)
Affinity DataEC50:  5.50E+4nMAssay Description:NAD(P)H:quinone oxidoreductase 1 (NQO1), also called DT diaphorase, is a homodimeric FAD-containing enzyme that catalyzes obligatory NAD(P)H-dependen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails US Patent
TargetKelch-like ECH-associated protein 1 [321-609](Homo sapiens (Human))
Glaxosmithkline

US Patent
LigandPNGBDBM304768(3-(3-((1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]o...)
Affinity DataIC50:  55nMAssay Description:100 nL of 100× compound dose response curves (serial 3-fold dilutions) in DMSO are stamped using an Echo liquid handling system (Labcyte) into 384-we...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM304768(3-(3-((1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]o...)
Affinity DataKd:  35nMAssay Description:Binding affinity to human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus infected Sf9 insect cells by isoth...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
Glaxosmithkline

US Patent
LigandPNGBDBM304768(3-(3-((1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]o...)
Affinity DataEC50:  1.60E+3nMAssay Description:Activation of Nrf2 in human BEAS2B cells assessed as increase in NQO1 enzymatic activity measured after 48 hrs by MTT assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM304768(3-(3-((1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]o...)
Affinity DataIC50:  47nMAssay Description:Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB