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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E-selectin' and Ligand = 'BDBM50288313'   
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))		BDBM50288313
PNG
(5-{(2S,3R,4S)-2-[(1S,2R)-1-Ethoxycarbonyl-2-((2R,5...)
Show SMILES CCOC(=O)[C@@H](NC(=O)[C@@H]1[C@@H](O)[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/C22H36N2O13/c1-4-35-21(34)14(9(2)36-22-19(32)18(31)16(29)10(3)37-22)23-20(33)15-17(30)11(25)8-24(15)12(26)6-5-7-13(27)28/h9-11,14-19,22,25,29-32H,4-8H2,1-3H3,(H,23,33)(H,27,28)/p-1/t9-,10+,11+,14+,15+,16-,17+,18?,19?,22-/m1/s1
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Similars
Article
n/an/a 5.00E+4n/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