forodesine [Ligand Id: 8272] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL218291 (BCX-1777, Fodosine, Forodesine, NSC-717904)
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  • Purine nucleoside phosphorylase in Plasmodium falciparum [ChEMBL: CHEMBL5648] [UniProtKB: Q8T9Z7]
  • purine nucleoside phosphorylase/Purine nucleoside phosphorylase in Human [ChEMBL: CHEMBL4338] [GtoPdb: 2841] [UniProtKB: P00491]
  • Purine nucleoside phosphorylase in Bovine [ChEMBL: CHEMBL2935] [UniProtKB: P55859]
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  • Plasmodium falciparum purine nucleoside phosphorylase in Plasmodium falciparum [GtoPdb: 3077]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythrocytes assessed as reduction in [3H]ethanolamine incorporation incubated for 18 hrs followed by addition of [3H]ethanolamine and measured after 48 hrs by scintillation counting method F 7.2 pIC50 63 nM IC50 J Med Chem (2019) 62: 8365-8391 [PMID:30964283]
Purine nucleoside phosphorylase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5648] [UniProtKB: Q8T9Z7]
ChEMBL Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor complex formation B 7.54 pKi 29 nM Ki J Med Chem (2019) 62: 8365-8391 [PMID:30964283]
ChEMBL Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry B 9.07 pKi 0.86 nM Ki Eur J Med Chem (2010) 45: 5140-5149 [PMID:20817362]
ChEMBL Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formation B 9.22 pKi 0.6 nM Ki J Med Chem (2019) 62: 8365-8391 [PMID:30964283]
purine nucleoside phosphorylase/Purine nucleoside phosphorylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4338] [GtoPdb: 2841] [UniProtKB: P00491]
ChEMBL Inhibition of human PNP B 10.25 pKd 0.06 nM Kd Eur J Med Chem (2010) 45: 5140-5149 [PMID:20817362]
ChEMBL Inhibition of human PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formation B 7.14 pKi 72 nM Ki J Med Chem (2019) 62: 8365-8391 [PMID:30964283]
ChEMBL Initial binding affinity to human PNP His257Gly mutant B 7.96 pKi 11 nM Ki Bioorg Med Chem Lett (2008) 18: 5900-5903 [PMID:18778937]
ChEMBL Initial binding affinity to wild type human PNP B 8.48 pKi 3.3 nM Ki Bioorg Med Chem Lett (2008) 18: 5900-5903 [PMID:18778937]
ChEMBL Inhibition of human purine nucleoside phosphorylase; Initial rate. B 8.48 pKi 3.3 nM Ki J Med Chem (2003) 46: 3412-3423 [PMID:12852771]
ChEMBL Binding affinity towards Human Purine Nucleoside Phosphorylase was reported B 8.48 pKi 3.3 nM Ki J Med Chem (2003) 46: 5271-5276 [PMID:14613329]
ChEMBL Inhibition of human PNP activity B 8.74 pKi 1.8 nM Ki J Med Chem (2006) 49: 6037-6045 [PMID:17004717]
GtoPdb - - 10.14 pKi 0.07 nM Ki Biochemistry (1998) 37: 8615-21 [PMID:9628722]
ChEMBL Inhibitory activity of compound against human purine nucleoside phosphorylase (PNP) B 10.14 pKi 0.07 nM Ki J Med Chem (2003) 46: 155-160 [PMID:12502369]
ChEMBL Equilibrium binding affinity to wild type human PNP B 10.24 pKi 0.06 nM Ki Bioorg Med Chem Lett (2008) 18: 5900-5903 [PMID:18778937]
ChEMBL Inhibitory activity of compound against human purine nucleoside phosphorylase (PNP) B 10.25 pKi 0.06 nM Ki J Med Chem (2004) 47: 3275-3281 [PMID:15163207]
ChEMBL Inhibition of human PNP by xanthine-oxidase coupled assay B 10.25 pKi 0.06 nM Ki J Med Chem (2009) 52: 1126-1143 [PMID:19170524]
ChEMBL Dissociation constant against Human Purine Nucleoside Phosphorylase was reported B 10.25 pKi 0.06 nM Ki J Med Chem (2003) 46: 5271-5276 [PMID:14613329]
ChEMBL Inhibition of human PNP using inosine as substrate by xanthine oxidase coupled assay B 10.25 pKi 0.06 nM Ki Medchemcomm (2018) 9: 1983-1993 [PMID:30627387]
ChEMBL Equilibrium dissociation constant determined against human purine nucleoside phosphorylase (PNP) after slow-onset inhibition B 10.25 pKi 0.06 nM Ki J Med Chem (2003) 46: 3412-3423 [PMID:12852771]
ChEMBL Inhibition of human purine nucleoside phosphorylase B 7 pIC50 100 nM IC50 Bioorg Med Chem Lett (2009) 19: 2627-2629 [PMID:19386496]
ChEMBL Inhibition of human PNP activity B 8.46 pIC50 3.5 nM IC50 J Med Chem (2006) 49: 6037-6045 [PMID:17004717]
Purine nucleoside phosphorylase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2935] [UniProtKB: P55859]
ChEMBL Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry B 10.64 pKd 0.02 nM Kd Bioorg Med Chem (2012) 20: 6758-6769 [PMID:23040896]
ChEMBL Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 50 mM inorganic phosphate B 7.39 pKi 41 nM Ki Bioorg Med Chem (2010) 18: 2275-2284 [PMID:20189401]
ChEMBL Inhibitory activity of compound against bovine purine nucleoside phosphorylase (PNP) B 10.64 pKi 0.02 nM Ki J Med Chem (2003) 46: 155-160 [PMID:12502369]
ChEMBL Inhibition of bovine spleen PNP using inosine as substrate by xanthine oxidase coupled assay B 10.64 pKi 0.02 nM Ki Medchemcomm (2018) 9: 1983-1993 [PMID:30627387]
Plasmodium falciparum purine nucleoside phosphorylase in Plasmodium falciparum [GtoPdb: 3077]
GtoPdb - - 9.22 pKi 0.6 nM Ki J Biol Chem (2002) 277: 3219-25 [PMID:11707439]
GtoPdb Parasite growth inhibition assay - 7.46 pIC50 35 nM IC50 J Biol Chem (2002) 277: 3226-31 [PMID:11706018]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]