BDBM8526 CHEMBL1809170::US8822447, 107::US8822448, 184::US9771375, Example 184

SMILES CSc1nn(-c2ccc(C)cc2)c2cc(ccc12)C1=CCNCC1

InChI Key InChIKey=SESDCSYISZDSGQ-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 8526   

TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Rattus norvegicus (Rat))
Astellas Pharma

US Patent
LigandPNGBDBM8526(CHEMBL1809170 | US8822447, 107 | US8822448, 184 | ...)
Affinity DataIC50:  40nMpH: 8.0Assay Description:The PDE9-inhibiting activity was measured by the following method. That is, to a buffer solution containing tris(hydroxymethyl)aminomethane-hydrochlo...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetKetohexokinase(Homo sapiens (Human))
Janssen Pharmaceutica

US Patent
LigandPNGBDBM8526(CHEMBL1809170 | US8822447, 107 | US8822448, 184 | ...)
Affinity DataIC50:  440nMT: 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
LigandPNGBDBM8526(CHEMBL1809170 | US8822447, 107 | US8822448, 184 | ...)
Affinity DataIC50:  40nMAssay 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
LigandPNGBDBM8526(CHEMBL1809170 | US8822447, 107 | US8822448, 184 | ...)
Affinity DataIC50:  440nMAssay 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
LigandPNGBDBM8526(CHEMBL1809170 | US8822447, 107 | US8822448, 184 | ...)
Affinity DataIC50:  40nMAssay 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