BDBM518796 1-(4-Amino-1-(4-pyrrolidin-1-ylmethyl)benzyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)pentan-1-one 12::US11117898, Example 12

SMILES CCCCC(=O)c1nc(N)c2cnn(Cc3ccc(CN4CCCC4)cc3)c2n1

InChI Key InChIKey=ZHFGTSAYOORJIJ-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 = 518796   

TargetCytochrome P450 3A4(Human)
Jiangsu Hengrui Medicine

US Patent
LigandPNGBDBM518796(US11117898, Example 12 | 1-(4-Amino-1-(4-pyrrolidi...)
Affinity DataIC50: 1.60E+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
In Depth
Date in BDB:
2/26/2022
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Jiangsu Hengrui Medicine

US Patent
LigandPNGBDBM518796(US11117898, Example 12 | 1-(4-Amino-1-(4-pyrrolidi...)
Affinity DataIC50: 1.60E+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
In Depth
Date in BDB:
2/26/2022
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Jiangsu Hengrui Medicine

US Patent
LigandPNGBDBM518796(US11117898, Example 12 | 1-(4-Amino-1-(4-pyrrolidi...)
Affinity DataIC50: 3.00E+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
In Depth
Date in BDB:
2/26/2022
Entry Details
Go to US Patent