BDBM50247149 5'-Methylthio-ImmH::CHEMBL473929::US9290501, (A)
SMILES: CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O
InChI Key: InChIKey=CEGIKIXYDFDYDN-RXDXJJGDSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
S-methyl-5'-thioinosine phosphorylase (MTIP) (Pseudomonas aeruginosa) | BDBM50247149 (5'-Methylthio-ImmH | CHEMBL473929 | US9290501, (A)) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Similars | US Patent | 0.0760 | -13.8 | 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) | BDBM50247149 (5'-Methylthio-ImmH | CHEMBL473929 | US9290501, (A)) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Similars | MMDB Article PubMed | 2.70 | 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 3D7 PNP expressed in Escherichia coli assessed as reduction in uric acid formation by spectrophotometric method | J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purine nucleoside phosphorylase (Homo sapiens (Human)) | BDBM50247149 (5'-Methylthio-ImmH | CHEMBL473929 | US9290501, (A)) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Similars | Article PubMed | 101 | 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)) | BDBM50247149 (5'-Methylthio-ImmH | CHEMBL473929 | US9290501, (A)) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Similars | Article PubMed | 303 | 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 PNP expressed in Escherichia coli assessed as reduction in uric acid formation by spectrophotometric method | J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 | |||||||||||
More data for this Ligand-Target Pair |