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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase-3' and Ligand = 'BDBM50270450'   
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))		BDBM50270450
PNG
(CHEMBL4089157)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(C)cc1 |r,c:3|
Show InChI InChI=1S/C20H24N4O7/c1-10-3-5-12(6-4-10)13-8-24(23-22-13)9-15(27)18(28)19-17(21-11(2)25)14(26)7-16(31-19)20(29)30/h3-8,14-15,17-19,26-28H,9H2,1-2H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1
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Similars
Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...

J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair