Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50288316'   

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))	BDBM50288316 (4-[(1-{[(2S,3R)-1-ethoxy-1-oxo-3-{[(2R,5S,6S)-3,4,...) Show SMILES CCOC(=O)[C@@H](NC(=O)C(CO)(CO)NC(=O)CCCC([O-])=O)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O Show InChI InChI=1S/C21H36N2O13/c1-4-34-18(32)14(10(2)35-19-17(31)16(30)15(29)11(3)36-19)22-20(33)21(8-24,9-25)23-12(26)6-5-7-13(27)28/h10-11,14-17,19,24-25,29-31H,4-9H2,1-3H3,(H,22,33)(H,23,26)(H,27,28)/p-1/t10-,11+,14+,15-,16?,17?,19-/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	9.00E+5	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
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