BDBM50349755 CHEMBL1809182::US8822447, 50::US9771375, Example 50

SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CC2CNCC2C1

InChI Key InChIKey=JRGJWNYNELQBIY-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50349755   

TargetKetohexokinase(Homo sapiens (Human))
Janssen Pharmaceutica

US Patent
LigandPNGBDBM50349755(CHEMBL1809182 | US8822447, 50 | US9771375, Example...)
Affinity DataIC50:  5.36E+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
TargetKetohexokinase(Homo sapiens (Human))
Janssen Pharmaceutica

US Patent
LigandPNGBDBM50349755(CHEMBL1809182 | US8822447, 50 | US9771375, Example...)
Affinity DataIC50:  590nMAssay Description:Inhibition of KHK (unknown origin) using D-fructose as substrate after 60 mins in presence of ATP by LC-MS analysisMore data for this Ligand-Target Pair
TargetKetohexokinase(Homo sapiens (Human))
Janssen Pharmaceutica

US Patent
LigandPNGBDBM50349755(CHEMBL1809182 | US8822447, 50 | US9771375, Example...)
Affinity DataIC50:  5.36E+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
TargetKetohexokinase(Homo sapiens (Human))
Janssen Pharmaceutica

US Patent
LigandPNGBDBM50349755(CHEMBL1809182 | US8822447, 50 | US9771375, Example...)
Affinity DataIC50:  590nMAssay 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