BDBM50214707 9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguanine::CHEMBL236709

SMILES c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O

InChI Key InChIKey=OISKFAFOKMNXNK-UHFFFAOYSA-N

Data  7 KI  5 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 13 hits for monomerid = 50214707   

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

Curated by ChEMBL
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataIC50: 10.2nMAssay 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(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataIC50: 20.4nMAssay 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
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataIC50: 10.2nMAssay 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
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataIC50: 20.4nMAssay 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
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataKd:  0.100nMAssay 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
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
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
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataKi:  1nMAssay 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(Human)
Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataKi:  1nMAssay Description:Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.02...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
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataKi:  1nMAssay Description:Inhibition of human 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
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataKi:  1nMAssay 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
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataKi:  4.40nMAssay Description:Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...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
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataKi:  6.90nMAssay Description:Inhibition of bovine PNP using 7-methylguanosine as substrate by spectrophotometric based coupled assayMore 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
LigandPNGBDBM50214707(9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...)
Affinity DataKi:  8.10nMAssay 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)