BDBM304844 5-(1-Ethyl-1H-1,2,3-triazol-4-yl)-3-(4-methyl-3-((4-methyl-1,1-dioxido-4,5-dihydropyrido[4,3-f][1,2]thiazepin-2(3H)-yl)methyl)phenyl)pentanoic acid::US10144731, Example 152

SMILES CCn1cc(CCC(CC(O)=O)c2ccc(C)c(CN3CC(C)Cc4ccncc4S3(=O)=O)c2)nn1

InChI Key InChIKey=NVMUELBMBSCZMG-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 = 304844   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 304844BDBM304844(5-(1-Ethyl-1H-1,2,3-triazol-4-yl)-3-(4-methyl-3-((...)
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
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 304844BDBM304844(5-(1-Ethyl-1H-1,2,3-triazol-4-yl)-3-(4-methyl-3-((...)
Affinity DataEC50:  550nMAssay 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