BDBM585306 5-(4-phenylpiperazin-1-yl)-6- propylpyrimidine-2,4-diamine::US11530198, Example 49

SMILES CCCc1c(c(nc(n1)N)N)N2CCN(CC2)c3ccccc3

InChI Key InChIKey=NVJSDHWZOFXFSJ-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 585306   

TargetDihydrofolate reductase(Human)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM585306(US11530198, Example 49 | 5-(4-phenylpiperazin-1-yl...)
Affinity DataIC50: 9.12E+3nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM585306(US11530198, Example 49 | 5-(4-phenylpiperazin-1-yl...)
Affinity DataIC50: 18.2nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetDihydrofolate reductase(Human)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM585306(US11530198, Example 49 | 5-(4-phenylpiperazin-1-yl...)
Affinity DataIC50: 1.12E+4nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent

TargetBifunctional dihydrofolate reductase-thymidylate synthase(Plasmodium Falciparum)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM585306(US11530198, Example 49 | 5-(4-phenylpiperazin-1-yl...)
Affinity DataIC50: 14.1nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
Go to US Patent