BDBM179617 US9126987, 20

SMILES COc1ccc(Nc2nnc(o2)-c2ccc3[nH]cnc3c2)cc1OC

InChI Key InChIKey=YDKNPVFIIZFLPJ-UHFFFAOYSA-N

Data  1 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 179617   

TargetGlutaminyl-peptide cyclotransferase(Human)
Probiodrug

US Patent
LigandPNGBDBM179617(US9126987, 20)
Affinity DataKi:  6.80E+3nM ΔG°:  -7.16kcal/mole IC50: 1.50E+4nMpH: 8.0 T: 2°CAssay Description:All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was evaluated fluorometricall...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2016
Entry Details
US Patent