BDBM50051835 CHEMBL2368520::Ethyl(Sodium 5-actamido-3,5-dideoxy-alpha-D-glycero-D-galacto-nonulopyronosylonate)-(2,3)-O-(beta-D-galactopyranosyl)-(1,4)-O(alpha-L-fucopyranosyl)-(1,3)-O-[2-(N-acetylamido)-2-deoxy-beta-D-glucopyranosyl]-(1,3)-O-beta-D-galactopyranoside(N-acetyl SLex)
SMILES: [Na+].[H][C@]1(O[C@@](C[C@@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](CO)O[C@@H](OCC)[C@H]3O)[C@@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO
InChI Key: InChIKey=YOFPOWSUPALAIC-NXCAETRLSA-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)) | BDBM50051835 (CHEMBL2368520 | Ethyl(Sodium 5-actamido-3,5-dideox...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cytel Corporation Curated by ChEMBL | Assay Description Compound was tested for the inhibition of E-selectin-mediated cellular adhesion | J Med Chem 39: 1357-60 (1996) Article DOI: 10.1021/jm9600611 BindingDB Entry DOI: 10.7270/Q22R3QQ2 | |||||||||||
More data for this Ligand-Target Pair |