BDBM50131452 CHEMBL92193::Hexadecanoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-7,8-dihydroxy-chroman-3-yl ester
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1
InChI Key: InChIKey=QXEZDDGFPNELCL-OFSOJUDTSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Xanthine dehydrogenase/oxidase (Homo sapiens (Human)) | BDBM50131452 (CHEMBL92193 | Hexadecanoic acid (2S,3R)-2-(3,4-dih...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Chemical Technology Curated by ChEMBL | Assay Description Inhibition of Xanthine oxidase | Bioorg Med Chem Lett 13: 2777-80 (2003) BindingDB Entry DOI: 10.7270/Q2M61KS0 | |||||||||||
More data for this Ligand-Target Pair |