BDBM50349749 CHEMBL1809176::US8822447, 76::US9771375, Example 76

SMILES COc1nn(-c2ccccc2)c2cc(ccc12)N1CCN(CC1)C1CCNCC1

InChI Key InChIKey=BTTVJKUPEPLYOO-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 = 50349749   

TargetKetohexokinase(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50349749(CHEMBL1809176 | US8822447, 76 | US9771375, Example...)
Affinity DataIC50: 1.38E+3nMAssay 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 Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetKetohexokinase(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50349749(CHEMBL1809176 | US8822447, 76 | US9771375, Example...)
Affinity DataIC50: 1.38E+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 Depth
Date in BDB:
2/2/2015
Entry Details
US Patent

TargetKetohexokinase(Human)
Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL
LigandPNGBDBM50349749(CHEMBL1809176 | US8822447, 76 | US9771375, Example...)
Affinity DataIC50: 1.38E+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 Depth
Date in BDB:
8/6/2019
Entry Details
US Patent