BDBM50061125 (2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-[[6-O-(sodium oxysulfonyl)-beta-D-galactopyranosyl]oxy]-4-octadecene::CHEMBL111642
SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(O)C(O)C1O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC
InChI Key: InChIKey=UVDCXOAPLLFPKZ-NSJFJTRESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P-selectin (Homo sapiens (Human)) | BDBM50061125 ((2S,3R,4E)-2-(hexadecanoylamino)-3-(benzoyloxy)-1-...) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description In vitro inhibitory concentration against Selectin P in a cell-free binding assay | J Med Chem 40: 3234-47 (1997) Article DOI: 10.1021/jm9606960 BindingDB Entry DOI: 10.7270/Q21Z454Z | |||||||||||
More data for this Ligand-Target Pair |