Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50050454'   

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))	BDBM50050454 (CHEMBL177789 | O-(3-O-Sulfo-beta-D-galactopyranosy...) Show SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H](CO)[C@H]2O[C@@H]2O[C@H](O)[C@H](OS([O-])(=O)=O)[C@H](O)[C@H]2O)NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C19H33NO17S/c1-5-9(23)10(24)12(26)18(33-5)34-14-7(20-6(2)22)4-32-8(3-21)15(14)35-19-13(27)11(25)16(17(28)36-19)37-38(29,30)31/h5,7-19,21,23-28H,3-4H2,1-2H3,(H,20,22)(H,29,30,31)/p-1/t5-,7-,8+,9+,10+,11+,12-,13+,14+,15+,16+,17-,18-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human chimeric E-selectin-Ig				J Med Chem 39: 1339-43 (1996) Article DOI: 10.1021/jm9506478 BindingDB Entry DOI: 10.7270/Q2513ZWW
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