Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50056132'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
E-selectin (Homo sapiens (Human))	BDBM50056132 (2-[5,6-dihydroxy-2-hydroxymethyl-4-(3,4,5-trihydro...) Show SMILES CC1OC(OC2C(O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OS([O-])(=O)=O)C2O)C(O)C(O)C1O Show InChI InChI=1S/C18H32O18S/c1-4-7(21)9(23)10(24)17(31-4)35-15-11(25)16(27)32-6(3-20)13(15)34-18-12(26)14(36-37(28,29)30)8(22)5(2-19)33-18/h4-27H,2-3H2,1H3,(H,28,29,30)/p-1	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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Kanebo Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against E-selectin expressed in endothelial cells				J Med Chem 40: 362-9 (1997) Article DOI: 10.1021/jm9606103 BindingDB Entry DOI: 10.7270/Q2QV3KM0
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