Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50105183'   

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))	BDBM50105183 (4-(4-Furan-2-yl-phenoxy)-thieno[2,3-c]pyridine-2-c...) Show SMILES CNC(=O)c1cc2c(Oc3ccc(cc3)-c3ccco3)cncc2s1 Show InChI InChI=1S/C19H14N2O3S/c1-20-19(22)17-9-14-16(10-21-11-18(14)25-17)24-13-6-4-12(5-7-13)15-3-2-8-23-15/h2-11H,1H3,(H,20,22)	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	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of selectin E in human endothelial cells				J Med Chem 44: 3469-87 (2001) BindingDB Entry DOI: 10.7270/Q2KW5FBM
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