BDBM50349745 CHEMBL1809172::US8822447, 124::US9771375, Example 124

SMILES CSc1nn(-c2ccc(cc2)[N+]([O-])=O)c2cc(ccc12)C1=CCNCC1

InChI Key InChIKey=PZHRDVMZPZZFGN-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50349745   

TargetKetohexokinase(Homo sapiens (Human))
Janssen Pharmaceutica

US Patent
LigandPNGBDBM50349745(CHEMBL1809172 | US8822447, 124 | US9771375, Exampl...)
Affinity DataIC50:  490nMT: 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
TargetKetohexokinase(Homo sapiens (Human))
Janssen Pharmaceutica

US Patent
LigandPNGBDBM50349745(CHEMBL1809172 | US8822447, 124 | US9771375, Exampl...)
Affinity DataIC50:  490nMAssay 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
LigandPNGBDBM50349745(CHEMBL1809172 | US8822447, 124 | US9771375, Exampl...)
Affinity DataIC50:  480nMAssay Description:Inhibition of KHK-mediated conversion of D-fructose to fructose-1-phosphate after 60 mins by high throughput mass spectrometry analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed