null
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@H](NC(C)=O)[C@H](OCCCCCCNC(=O)CCC(O)=O)O[C@@H](CO)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O[C@@]3(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)[C@@H](O)[C@@H]1O
InChI Key: InChIKey=YQKZZGGUJKGPPC-ZZHHVOTDSA-N
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 (Homo sapiens (Human)) | BDBM50288835 (CHEMBL3215423 | CHEMBL405132 | Sialyl-LewisX Conju...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibition of HL60 cell adhesion to recombinant P-selectin-IgG fusion protein obtained from transfected COS cells | Bioorg Med Chem Lett 6: 509-514 (1996) Article DOI: 10.1016/0960-894X(96)00057-1 BindingDB Entry DOI: 10.7270/Q27944P1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E-selectin (Homo sapiens (Human)) | BDBM50288835 (CHEMBL3215423 | CHEMBL405132 | Sialyl-LewisX Conju...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.15E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibition of HL60 cell adhesion to recombinant Selectin E IgG fusion protein obtained from transfected COS cells | Bioorg Med Chem Lett 6: 509-514 (1996) Article DOI: 10.1016/0960-894X(96)00057-1 BindingDB Entry DOI: 10.7270/Q27944P1 | |||||||||||
More data for this Ligand-Target Pair |