BDBM50293833 ((R)-1-(2-amino-8-bromo-6-oxo-1,6,7,8-tetrahydropurin-9-yl)propan-2-yloxy)methylphosphonate::CHEMBL561552
SMILES: C[C@H](CN1C(Br)Nc2c1nc(N)[nH]c2=O)OCP(O)(O)=O
InChI Key: InChIKey=AOXUTPPKHNPZPN-WZIMWHJTSA-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)) | BDBM50293833 (((R)-1-(2-amino-8-bromo-6-oxo-1,6,7,8-tetrahydropu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.10E+4 | 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) |