Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50098498'   

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))	BDBM50098498 (CHEMBL6371 | Phenyl-(4-p-tolylsulfanyl-thieno[2,3-...) Show SMILES Cc1ccc(Sc2cncc3sc(cc23)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H15NOS2/c1-14-7-9-16(10-8-14)24-19-12-22-13-20-17(19)11-18(25-20)21(23)15-5-3-2-4-6-15/h2-13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro potency against TNF alpha induced expression of Selectin E on human vascular endothelial cells using CAM ELISA assay				J Med Chem 44: 988-1002 (2001) BindingDB Entry DOI: 10.7270/Q2CF9PC4
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