BDBM50026869 CHEMBL3335527

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](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC

InChI Key: InChIKey=ZYZJKJHBRAKBAW-UHKFPXPLSA-N

Data: 3 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 3 hits for monomerid = 50026869   

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
Selectin E (Homo sapiens (Human))	BDBM50026869 (CHEMBL3335527) 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](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r| Show InChI InChI=1S/C34H42O18/c1-16-21(36)23(38)24(39)33(47-16)51-26(31(43)45-2)27(32(44)46-3)52-34-28(50-30(42)18-12-8-5-9-13-18)25(22(37)20(15-35)49-34)48-19(29(40)41)14-17-10-6-4-7-11-17/h4-13,16,19-28,33-39H,14-15H2,1-3H3,(H,40,41)/t16-,19+,20+,21+,22-,23+,24-,25-,26+,27+,28+,33-,34-/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 Similars	Article PubMed	n/a	n/a	2.08E+6	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 E-selectin (unknown origin) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static 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
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50026869 (CHEMBL3335527) 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](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r| Show InChI InChI=1S/C34H42O18/c1-16-21(36)23(38)24(39)33(47-16)51-26(31(43)45-2)27(32(44)46-3)52-34-28(50-30(42)18-12-8-5-9-13-18)25(22(37)20(15-35)49-34)48-19(29(40)41)14-17-10-6-4-7-11-17/h4-13,16,19-28,33-39H,14-15H2,1-3H3,(H,40,41)/t16-,19+,20+,21+,22-,23+,24-,25-,26+,27+,28+,33-,34-/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 Similars	Article PubMed	n/a	n/a	5.20E+5	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
P-selectin/P-selectin glycoprotein ligand 1 (Homo sapiens (Human))	BDBM50026869 (CHEMBL3335527) 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](O)[C@H](O[C@H](Cc2ccccc2)C(O)=O)[C@H]1OC(=O)c1ccccc1)C(=O)OC |r| Show InChI InChI=1S/C34H42O18/c1-16-21(36)23(38)24(39)33(47-16)51-26(31(43)45-2)27(32(44)46-3)52-34-28(50-30(42)18-12-8-5-9-13-18)25(22(37)20(15-35)49-34)48-19(29(40)41)14-17-10-6-4-7-11-17/h4-13,16,19-28,33-39H,14-15H2,1-3H3,(H,40,41)/t16-,19+,20+,21+,22-,23+,24-,25-,26+,27+,28+,33-,34-/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 Similars	Article PubMed	n/a	n/a	1.90E+6	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) assessed as adhesion to [3H]thymidine-labelled human HL60 cells by static 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