BindingDB PrimarySearch

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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50214705
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 0.025 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay 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...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrofluorimetric method in presence of 1...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	10.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against human erythrocytic purine nucleoside phosphorylase				Bioorg Med Chem Lett 2: 407-410 (1992) Article DOI: 10.1016/S0960-894X(00)80157-2 BindingDB Entry DOI: 10.7270/Q2WD412N
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20.2	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorgan...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 25 uM 7-methylguanosine phosphorolysis by spectrophotometry in presence of 1 mM inorganic pho...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20.2	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry/ fluorimetric titration analysi...				Bioorg Med Chem 20: 6758-69 (2012) Article DOI: 10.1016/j.bmc.2012.08.045 BindingDB Entry DOI: 10.7270/Q23N24H7
University of Warsaw Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)