BDBM50293087 2-amino-7-(((3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::CHEMBL475750
SMILES: Nc1nc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c2c(=O)[nH]1
InChI Key: InChIKey=GSPTUGDLYPMLCQ-SFYZADRCSA-N
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)) | BDBM50293087 (2-amino-7-(((3R,4R)-3-hydroxy-4-(hydroxymethyl)pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier Curated by ChEMBL | Assay Description Inhibition of human His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor complex formation by measuring reduction in uric acid formatio... | J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Purine Nucleoside Phosphorylase (PNP) (Plasmodium falciparum) | BDBM50293087 (2-amino-7-(((3R,4R)-3-hydroxy-4-(hydroxymethyl)pyr...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum His-tagged PNP expressed in Escherichia coli assessed as inhibitor constant for enzyme-inhibitor complex formatio... | J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Purine nucleoside phosphorylase (Homo sapiens (Human)) | BDBM50293087 (2-amino-7-(((3R,4R)-3-hydroxy-4-(hydroxymethyl)pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Industrial Research Limited Curated by ChEMBL | Assay Description Inhibition of human PNP by xanthine-oxidase coupled assay | J Med Chem 52: 1126-43 (2009) Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Purine nucleoside phosphorylase (Homo sapiens (Human)) | BDBM50293087 (2-amino-7-(((3R,4R)-3-hydroxy-4-(hydroxymethyl)pyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier Curated by ChEMBL | Assay Description Inhibition of human His-tagged PNP assessed as equilibrium dissociation constant by measuring reduction in uric acid formation by spectrophotometric ... | J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |