Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50288312'   

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))	BDBM50288312 (5-{(2R,4R)-2-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5S,6...) Show SMILES CCOC(=O)[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)CCCC([O-])=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O Show InChI InChI=1S/C22H36N2O12/c1-4-34-21(33)16(10(2)35-22-19(31)18(30)17(29)11(3)36-22)23-20(32)13-8-12(25)9-24(13)14(26)6-5-7-15(27)28/h10-13,16-19,22,25,29-31H,4-9H2,1-3H3,(H,23,32)(H,27,28)/p-1/t10-,11+,12-,13-,16+,17-,18?,19?,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Selectin E				Bioorg Med Chem Lett 6: 2755-2760 (1996) Article DOI: 10.1016/S0960-894X(96)00509-4 BindingDB Entry DOI: 10.7270/Q2CV4J8C
					More data for this Ligand-Target Pair