BDBM304939 4-(2-Carboxy-1-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)ethyl)-2-(ethylcarbamoyl)benzoic acid; 5-(2-carboxy-1-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)ethyl)-2-(ethylcarbamoyl)benzoic acid (unknown ratio mixture)::US10144731, Example 243

SMILES CCNC(=O)c1cc(ccc1C(O)=O)C(CC(O)=O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1

InChI Key InChIKey=MQSQNZXYSKOZIF-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 304939   

TargetKelch-like ECH-associated protein 1 [321-609](Human)
Glaxosmithkline

US Patent
LigandChemical structure of BindingDB Monomer ID 304939BDBM304939(US10144731, Example 243 | 4-(2-Carboxy-1-(4-methyl...)
Affinity DataIC50: 550nMAssay 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
In Depth
Date in BDB:
3/30/2019
Entry Details
US Patent

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

US Patent
LigandChemical structure of BindingDB Monomer ID 304939BDBM304939(US10144731, Example 243 | 4-(2-Carboxy-1-(4-methyl...)
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
In Depth
Date in BDB:
3/30/2019
Entry Details
US Patent