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BDBM50288316 4-[(1-{[(2S,3R)-1-ethoxy-1-oxo-3-{[(2R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}butan-2-yl]carbamoyl}-2-hydroxy-1-(hydroxymethyl)ethyl)carbamoyl]butanoate::Liposome-like fucopeptide analogue

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

InChI Key: InChIKey=XDPVTDOTWZYJHW-VSFCBJTLSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50288316   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Selectin E


(Homo sapiens (Human))		BDBM50288316
PNG
(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
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MMDB

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Similars
Article
n/an/a 9.00E+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