BDBM50349744 CHEMBL1809171::US8822447, 140::US9771375, Example 140

SMILES COc1ccc(cc1)-n1nc(SC)c2ccc(cc12)C1=CCNCC1

InChI Key InChIKey=QUVKTRFGMBUQQH-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 = 50349744   

TargetKetohexokinase(Homo sapiens (Human))
Janssen Pharmaceutica

US Patent
LigandPNGBDBM50349744(CHEMBL1809171 | US8822447, 140 | US9771375, Exampl...)
Affinity DataIC50:  90nMT: 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
LigandPNGBDBM50349744(CHEMBL1809171 | US8822447, 140 | US9771375, Exampl...)
Affinity DataIC50:  90nMAssay 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
LigandPNGBDBM50349744(CHEMBL1809171 | US8822447, 140 | US9771375, Exampl...)
Affinity DataIC50:  87nMAssay 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