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 Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1

InChI Key InChIKey=JANQQPWTLXUSCD-UHFFFAOYSA-N

Data  6 KI  6 IC50  1 Kd

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 13 hits for monomerid = 50214705   

TargetPurine nucleoside phosphorylase(Bos taurus (bovine))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Affinity DataKi:  2.70nMAssay Description:Inhibition of calf PNP in presence of 0.025 mM phosphateMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Bos taurus (bovine))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
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
TargetPurine nucleoside phosphorylase(Bos taurus (bovine))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
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
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
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
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Affinity DataKi:  18nMAssay Description:Tested for its inhibitory activity against human erythrocytic purine nucleoside phosphorylaseMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Affinity DataKi:  53nMAssay Description:Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyteMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Affinity DataIC50:  540nMAssay Description:Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas spMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Affinity DataIC50:  380nMAssay Description:Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyteMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
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
TargetPurine nucleoside phosphorylase(Bos taurus (bovine))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
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
TargetPurine nucleoside phosphorylase(Bos taurus (bovine))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Affinity DataIC50:  18.7nMAssay Description:Inhibition of calf PNP in presence of 1 mM phosphateMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
Affinity DataIC50:  20.2nMAssay Description:Inhibition of human PNP in presence of 1 mM phosphateMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Bos taurus (bovine))
Tokyo University Of Pharmacy And Life Sciences

Curated by ChEMBL
LigandPNGBDBM50214705(5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...)
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