Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50408429'   

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))	BDBM50408429 (CHEMBL2029024) Show SMILES CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)NC(CCC(O)=O)C(=O)NC Show InChI InChI=1S/C44H83N3O11/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33(29-27-25-23-21-19-17-15-13-11-9-7-5-2)40(53)47-35(32-57-44-39(52)37(50)38(51)43(56)58-44)42(55)46-34(41(54)45-3)30-31-36(48)49/h33-35,37-39,43-44,50-52,56H,4-32H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)(H,48,49)/t34?,35-,37+,38+,39+,43-,44-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kanebo Curated by ChEMBL					Assay Description In vitro inhibitory activity against Selectin E-sialyl Lewis X (sLex) binding				J Med Chem 41: 2302-7 (1998) Article DOI: 10.1021/jm9707481 BindingDB Entry DOI: 10.7270/Q2T43TST
					More data for this Ligand-Target Pair