BDBM50056132 2-[5,6-dihydroxy-2-hydroxymethyl-4-(3,4,5-trihydroxy-6-methyltetrahydro-2H-2-pyranyloxy)tetrahydro-2H-3-pyranyloxy]-6-hydroxymethyltetrahydro-2H-3,4,5-pyrantriol sodium sulphonate::CHEMBL333353
SMILES: CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OS([O-])(=O)=O)C2O)C(O)C(O)C1O
InChI Key: InChIKey=HAVJAEDZKCIKEB-UHFFFAOYSA-M
Data: 3 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)) | BDBM50056132 (2-[5,6-dihydroxy-2-hydroxymethyl-4-(3,4,5-trihydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG 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 |
Kanebo Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against E-selectin expressed in endothelial cells | J Med Chem 40: 362-9 (1997) Article DOI: 10.1021/jm9606103 BindingDB Entry DOI: 10.7270/Q2QV3KM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human)) | BDBM50056132 (2-[5,6-dihydroxy-2-hydroxymethyl-4-(3,4,5-trihydro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG 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 |
Kanebo Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against Selectin P expressed in endothelial cells | J Med Chem 40: 362-9 (1997) Article DOI: 10.1021/jm9606103 BindingDB Entry DOI: 10.7270/Q2QV3KM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte adhesion molecule-1 (Homo sapiens (Human)) | BDBM50056132 (2-[5,6-dihydroxy-2-hydroxymethyl-4-(3,4,5-trihydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL KEGG 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 |
Kanebo Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against Selectin L expressed in endothelial cells | J Med Chem 40: 362-9 (1997) Article DOI: 10.1021/jm9606103 BindingDB Entry DOI: 10.7270/Q2QV3KM0 | |||||||||||
More data for this Ligand-Target Pair |