BDBM130627 US8822447, 110::US9771375, Example 110

SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C(=O)NC1CCNCC1

InChI Key InChIKey=UBTOLNBEJUVJOJ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 130627   

TargetKetohexokinase(Homo sapiens (Human))
Janssen Pharmaceutica

US Patent
LigandPNGBDBM130627(US8822447, 110 | US9771375, Example 110)
Affinity DataIC50:  9.83E+3nMAssay Description:An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Janssen Pharmaceutica

US Patent
LigandPNGBDBM130627(US8822447, 110 | US9771375, Example 110)
Affinity DataIC50:  9.83E+3nMT: 2°CAssay Description:An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HT...More data for this Ligand-Target Pair
In DepthDetails US Patent