BDBM50214705 5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-difluoropentylphosphonate::9-(5',5'-difluoro-5'-phosphonopentyl)guanine::9-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINE::CHEMBL236708::[5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-1,1-difluoro-pentyl]-phosphonic acid

SMILES c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N

InChI Key InChIKey=JANQQPWTLXUSCD-UHFFFAOYSA-N

Data  7 KI  7 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50214705   

TargetPurine nucleoside phosphorylase(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataIC50: 20.2nMAssay Description:Inhibition of human PNP in presence of 1 mM phosphateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Bovine)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataIC50: 18.7nMAssay Description:Inhibition of calf PNP in presence of 1 mM phosphateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Bovine)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataIC50: 18.7nMAssay Description:Inhibition of calf spleen PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorganic pho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataIC50: 20.2nMAssay Description:Inhibition of human erythrocyte PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorgan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Bovine)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataKd:  0.460nMAssay Description:Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry/ fluorimetric titration analysi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataIC50: 540nMAssay Description:Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas spMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataIC50: 380nMAssay Description:Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyteMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataIC50: 20nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Bovine)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataKi:  2.70nMAssay Description:Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.025 mM i...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Bovine)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataKi:  2.70nMAssay Description:Inhibition of calf PNP in presence of 0.025 mM phosphateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Bovine)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataKi:  6.90nMAssay Description:Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrofluorimetric method in presence of 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataKi:  10.8nMAssay Description:Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataKi:  18nMAssay Description:Tested for its inhibitory activity against human erythrocytic purine nucleoside phosphorylaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article
PDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataKi:  18nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPurine nucleoside phosphorylase(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(9-(5',5'-difluoro-5'-phosphonopentyl)guanine | [5-...)
Affinity DataKi:  53nMAssay Description:Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyteMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)