BDBM50422293 CHEMBL2303873

SMILES: OC[C@H]1O[C@H](Oc2ccc(CCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=DSPCUIWAKYWGRM-FLXCIWQFSA-N

Data: 2 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 2 hits for monomerid = 50422293   

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))	BDBM50422293 (CHEMBL2303873) Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C44H50O16/c45-21-33-37(51)39(53)41(55)43(59-33)57-31-13-11-23(17-29(31)27-9-3-7-25(15-27)19-35(47)48)5-1-2-6-24-12-14-32(58-44-42(56)40(54)38(52)34(22-46)60-44)30(18-24)28-10-4-8-26(16-28)20-36(49)50/h3-4,7-18,33-34,37-46,51-56H,1-2,5-6,19-22H2,(H,47,48)(H,49,50)/t33-,34-,37-,38-,39-,40-,41+,42+,43+,44+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
Texas Biotechnology Corporation Curated by ChEMBL					Assay Description Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin P-IgG fusion proteins				J Med Chem 41: 1099-111 (1998) Article DOI: 10.1021/jm9704917 BindingDB Entry DOI: 10.7270/Q2BP03G4
					More data for this Ligand-Target Pair
Selectin E (Homo sapiens (Human))	BDBM50422293 (CHEMBL2303873) Show SMILES OC[C@H]1O[C@H](Oc2ccc(CCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)cc2-c2cccc(CC(O)=O)c2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C44H50O16/c45-21-33-37(51)39(53)41(55)43(59-33)57-31-13-11-23(17-29(31)27-9-3-7-25(15-27)19-35(47)48)5-1-2-6-24-12-14-32(58-44-42(56)40(54)38(52)34(22-46)60-44)30(18-24)28-10-4-8-26(16-28)20-36(49)50/h3-4,7-18,33-34,37-46,51-56H,1-2,5-6,19-22H2,(H,47,48)(H,49,50)/t33-,34-,37-,38-,39-,40-,41+,42+,43+,44+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Texas Biotechnology Corporation Curated by ChEMBL					Assay Description Tested in vitro for the concentration to inhibit sLex bearing HL-60 cells binding to Selectin E-IgG fusion proteins by 50%.				J Med Chem 41: 1099-111 (1998) Article DOI: 10.1021/jm9704917 BindingDB Entry DOI: 10.7270/Q2BP03G4
					More data for this Ligand-Target Pair