BDBM50313785 (2S,4S,5R,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((2R,3S,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)hexan-3-yloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yloxy)-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid::CHEMBL1077186
SMILES: C[C@@H]1O[C@H](O[C@H]([C@@H](NC(C)=O)C=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O
InChI Key: InChIKey=LAQPKDLYOBZWBT-DQNVGDCBSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human)) | BDBM50313785 ((2S,4S,5R,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((...) | 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 | >5.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ et INSA de Rouen Curated by ChEMBL | Assay Description Inhibition of human recombinant P-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa... | Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Selectin E (Homo sapiens (Human)) | BDBM50313785 ((2S,4S,5R,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((...) | 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 | 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ et INSA de Rouen Curated by ChEMBL | Assay Description Inhibition of human recombinant E-Selectin assessed as inhibition of binding of HL-60 cells expressing tetrasaccharide sialyl Lewis x to selectin coa... | Bioorg Med Chem Lett 20: 1957-60 (2010) Article DOI: 10.1016/j.bmcl.2010.01.141 BindingDB Entry DOI: 10.7270/Q22Z15P9 | |||||||||||
More data for this Ligand-Target Pair |