BDBM50061136 (2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-[[2,3-di-O-benzoyl-4,6-bis-O-(sodium oxysulfonyl)-beta-D-galactopyranosyl]oxy]-4-octadecene::CHEMBL215557

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(OCc2ccccc2)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC

InChI Key: InChIKey=IABOBGKQJAGWNX-YYJCAEBZSA-L

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061136   

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))	BDBM50061136 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(COS([O-])(=O)=O)C(OS([O-])(=O)=O)C(OCc2ccccc2)C1OCc1ccccc1)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C61H95NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-44-55(70-46-51-38-30-27-31-39-51)54(62-57(63)45-37-26-24-22-20-18-16-14-12-10-8-6-4-2)49-73-61-60(72-48-53-42-34-29-35-43-53)59(71-47-52-40-32-28-33-41-52)58(76-78(67,68)69)56(75-61)50-74-77(64,65)66/h27-36,38-44,54-56,58-61H,3-26,37,45-50H2,1-2H3,(H,62,63)(H,64,65,66)(H,67,68,69)/p-2/b44-36+/t54-,55+,56?,58?,59?,60?,61?/m0/s1	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	100	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