null

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC

InChI Key: InChIKey=PRDOSHMBNLSJTP-NSJFJTRESA-L

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061124   

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))	BDBM50061124 ((2S,3R,4E)-3-(Benzoyloxy)-2-(hexadecanoylamino)-1-...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COC1OC(CO)C(O)C(OS([O-])(=O)=O)C1OS([O-])(=O)=O)[C@H](OCc1ccccc1)\C=C\CCCCCCCCCCCCC Show InChI InChI=1S/C47H83NO14S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(58-37-39-32-28-27-29-33-39)40(48-43(50)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)38-59-47-46(62-64(55,56)57)45(61-63(52,53)54)44(51)42(36-49)60-47/h27-30,32-34,40-42,44-47,49,51H,3-26,31,35-38H2,1-2H3,(H,48,50)(H,52,53,54)(H,55,56,57)/p-2/b34-30+/t40-,41+,42?,44?,45?,46?,47?/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