BDBM50247151 7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::CHEMBL514795::US9290501, (C)
SMILES: CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O
InChI Key: InChIKey=DBPWKRQKYPFTJB-ZJUUUORDSA-N
Data: 7 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Purine nucleoside phosphorylase (Homo sapiens (Human)) | BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0196 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University Curated by ChEMBL | Assay Description Equilibrium binding affinity to wild type human PNP | Bioorg Med Chem Lett 18: 5900-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purine nucleoside phosphorylase (Homo sapiens (Human)) | BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Victoria University of Wellington Curated by ChEMBL | Assay Description Inhibition of recombinant human PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex ... | Bioorg Med Chem 23: 5326-33 (2015) BindingDB Entry DOI: 10.7270/Q2HX1FF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purine nucleoside phosphorylase (Homo sapiens (Human)) | BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Albert Einstein College of Medicine of Yeshiva University Curated by ChEMBL | Assay Description Initial binding affinity to wild type human PNP | Bioorg Med Chem Lett 18: 5900-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purine nucleoside phosphorylase (Homo sapiens (Human)) | BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Victoria University of Wellington Curated by ChEMBL | Assay Description Inhibition of recombinant human PNP using inosine as substrate by xanthine oxidase coupling enzyme assay | Bioorg Med Chem 23: 5326-33 (2015) BindingDB Entry DOI: 10.7270/Q2HX1FF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
S-methyl-5'-thioinosine phosphorylase (MTIP) (Pseudomonas aeruginosa) | BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 0.340 | -12.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Albert Einstein College of Medicine, Inc.; Victoria Link Limited US Patent | Assay Description Assays for slow-onset inhibitors were carried out by adding 1 nM PaMTIP into reaction mixtures at 25 °C. containing 100 mM Hepes, pH 7.4, 100 mM ... | US Patent US9290501 (2016) BindingDB Entry DOI: 10.7270/Q2639NKD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purine Nucleoside Phosphorylase (PNP) (Plasmodium falciparum) | BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Victoria University of Wellington Curated by ChEMBL | Assay Description Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-in... | Bioorg Med Chem 23: 5326-33 (2015) BindingDB Entry DOI: 10.7270/Q2HX1FF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purine Nucleoside Phosphorylase (PNP) (Plasmodium falciparum) | BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Victoria University of Wellington Curated by ChEMBL | Assay Description Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate by xanthine oxidase coupling enzyme assay | Bioorg Med Chem 23: 5326-33 (2015) BindingDB Entry DOI: 10.7270/Q2HX1FF5 | |||||||||||
More data for this Ligand-Target Pair |