BDBM50104841 2-[2-(2-methyltetrahydro-2H-3,4,5pyrantoilmethyl-6-hydroxy-2-hydroxymethyl-5-methylcarboxamidotetrahydro-2H-3-pyranyloxy)-3,5-dihydroxy-6-hydroxymethyltetrahydro-2H-4-pyranyloxy]-4-hydroxy-5-methylcarboxamido-6-(1,2,3-trihydroxypropyl)tetrahydro-2H-2-pyrancarboxylate::CID44340373::rotavirus inhibitor, sialylmimetics 4
SMILES: CC1OC(CC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@@H](O)CO)C([O-])=O)C2O)C(O)C(O)C1O
InChI Key: InChIKey=HMOJQLBCXDTQEY-HYOCMIPASA-M
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Selectin E (Homo sapiens (Human)) | BDBM50104841 (2-[2-(2-methyltetrahydro-2H-3,4,5pyrantoilmethyl-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University (Gold Coast Campus) Curated by ChEMBL | Assay Description Inhibitory activity against selectin E was determined | J Med Chem 44: 3292-301 (2001) BindingDB Entry DOI: 10.7270/Q2CC11D0 | |||||||||||
More data for this Ligand-Target Pair |