BDBM50293819 ((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6,7,8-tetrahydropurin-9-yl)-tetrahydrofuran-2-yl)methyl phosphate::CHEMBL541690
SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1CNc2c1nc[nH]c2=O
InChI Key: InChIKey=JTAKDJLNMDBJEP-KQYNXXCUSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human)) | BDBM50293819 (((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6,7,8-tetr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.4 | n/a |
The University of Queensland Curated by ChEMBL | Assay Description Inhibition of human recombinant HGPRT at pH 7.4 by spectrophotometric assay | J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |