BDBM50100960 BDBM50214411::CHEMBL3215314::{3,5-Dihydroxy-2-hydroxymethyl-6-[(1R,2R)-2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-cyclohexyloxy]-tetrahydro-pyran-4-yloxy}-acetic acid anion

SMILES: C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](OCC(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=HVTRYWRQFYDADL-RKBTYAJZSA-M

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 = 50100960   

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
E-selectin (Homo sapiens (Human))	BDBM50100960 (BDBM50214411 | CHEMBL3215314 | {3,5-Dihydroxy-2-hy...) Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](OCC(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H34O13/c1-8-13(24)15(26)16(27)19(30-8)31-9-4-2-3-5-10(9)32-20-17(28)18(29-7-12(22)23)14(25)11(6-21)33-20/h8-11,13-21,24-28H,2-7H2,1H3,(H,22,23)/p-1/t8?,9-,10-,11?,13?,14?,15?,16?,17?,18?,19?,20?/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	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit the binding to recombinant human Selectin E immobilized on SPA beads of radiolabeled HL60 cell membran...				Bioorg Med Chem Lett 6: 239-244 (1996) Article DOI: 10.1016/0960-894X(96)00008-X BindingDB Entry DOI: 10.7270/Q2VT1SMM
					More data for this Ligand-Target Pair
E-selectin (Homo sapiens (Human))	BDBM50100960 (BDBM50214411 | CHEMBL3215314 | {3,5-Dihydroxy-2-hy...) Show SMILES C[C@@H]1O[C@@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](OCC(O)=O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C20H34O13/c1-8-13(24)15(26)16(27)19(30-8)31-9-4-2-3-5-10(9)32-20-17(28)18(29-7-12(22)23)14(25)11(6-21)33-20/h8-11,13-21,24-28H,2-7H2,1H3,(H,22,23)/p-1/t8?,9-,10-,11?,13?,14?,15?,16?,17?,18?,19?,20?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibitory concentration against E-selectin				Bioorg Med Chem Lett 11: 1587-90 (2001) BindingDB Entry DOI: 10.7270/Q2BP03BB
					More data for this Ligand-Target Pair