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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50288314'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
E-selectin


(Homo sapiens (Human))		BDBM50288314
PNG
(4-{(1R,2R)-1-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5S,6...)
Show SMILES CCOC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC([O-])=O)[C@@H](O)CO)[C@@H](C)O[C@@H]1O[C@@H](C)[C@@H](O)C(O)C1O
Show InChI InChI=1S/C21H36N2O13/c1-4-34-20(33)14(9(2)35-21-18(31)17(30)16(29)10(3)36-21)23-19(32)15(11(25)8-24)22-12(26)6-5-7-13(27)28/h9-11,14-18,21,24-25,29-31H,4-8H2,1-3H3,(H,22,26)(H,23,32)(H,27,28)/p-1/t9-,10+,11+,14+,15-,16-,17?,18?,21-/m1/s1
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Similars
Article
n/an/a 5.00E+5n/an/an/an/an/an/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