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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50331676   
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
Sialidase-3


(Homo sapiens (Human))		BDBM50331676
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-(diethoxyme...)
Show SMILES CCOC(OCC)c1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1 |r,c:17|
Show InChI InChI=1S/C18H28N4O9/c1-4-29-18(30-5-2)10-7-22(21-20-10)8-12(25)15(26)16-14(19-9(3)23)11(24)6-13(31-16)17(27)28/h6-7,11-12,14-16,18,24-26H,4-5,8H2,1-3H3,(H,19,23)(H,27,28)/t11-,12+,14+,15+,16+/m0/s1
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Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay

Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair