BDBM50026886 CHEMBL3335532

SMILES: COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C

InChI Key: InChIKey=NTUAWEYPTJBGPL-VRHNUPIHSA-N

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 = 50026886   

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/P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50026886 (CHEMBL3335532) Show SMILES COC(=O)[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC(C)C |r| Show InChI InChI=1S/C43H50O19/c1-22(2)55-41(53)35(34(40(52)54-4)61-42-31(47)30(46)29(45)23(3)56-42)62-43-36(60-39(51)26-18-12-7-13-19-26)33(57-27(37(48)49)20-24-14-8-5-9-15-24)32(28(21-44)58-43)59-38(50)25-16-10-6-11-17-25/h5-19,22-23,27-36,42-47H,20-21H2,1-4H3,(H,48,49)/t23-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,42-,43-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Cliniques de Montr£al (IRCM) Curated by ChEMBL					Assay Description Antagonist activity at P-selectin (unknown origin) by surface plasmon resonance-based dynamic assay				ACS Med Chem Lett 5: 1054-9 (2014) Article DOI: 10.1021/ml500266x BindingDB Entry DOI: 10.7270/Q2KW5HNG
					More data for this Ligand-Target Pair