BDBM518783 6-Butoxy-1-(4-(pyrrolidin-1-ylmethyl)benzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::US11117898, Example 1

SMILES CCCCOc1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1

InChI Key InChIKey=OZXVSIXMIUFERM-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 = 518783   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Jiangsu Hengrui Medicine

US Patent
LigandPNGBDBM518783(6-Butoxy-1-(4-(pyrrolidin-1-ylmethyl)benzyl)-1H-py...)
Affinity DataIC50:  1.40E+4nMAssay Description:Test Example 4: 100 mM PBS buffer was formulated, which was then used to formulate 2.5 mg/ml microsome solution and 5 mM NADPH solution. The 5× conce...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Jiangsu Hengrui Medicine

US Patent
LigandPNGBDBM518783(6-Butoxy-1-(4-(pyrrolidin-1-ylmethyl)benzyl)-1H-py...)
Affinity DataIC50:  4.00E+3nMAssay Description:Test Example 4: 100 mM PBS buffer was formulated, which was then used to formulate 2.5 mg/ml microsome solution and 5 mM NADPH solution. The 5× conce...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Jiangsu Hengrui Medicine

US Patent
LigandPNGBDBM518783(6-Butoxy-1-(4-(pyrrolidin-1-ylmethyl)benzyl)-1H-py...)
Affinity DataIC50: >3.00E+4nMAssay Description:Test Example 5: 100 mM PBS buffer was formulated, which was then used to formulate 2.5 mg/ml microsome solution and 5 mM NADPH solution. The 5× conce...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent