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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50037555'   
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
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))		BDBM50037555
PNG
(CHEMBL3357214)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)c1ccccc1 |r,c:7|
Show InChI InChI=1S/C21H31N5O5S/c1-4-15(5-2)31-18-12-14(11-17(25-21(22)23)19(18)24-13(3)27)20(28)26-32(29,30)16-9-7-6-8-10-16/h6-10,12,15,17-19H,4-5,11H2,1-3H3,(H,24,27)(H,26,28)(H4,22,23,25)/t17-,18+,19+/m0/s1
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Similars
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...

Bioorg Med Chem 22: 6647-54 (2015)


Article DOI: 10.1016/j.bmc.2014.10.005
BindingDB Entry DOI: 10.7270/Q27D2WR9
More data for this
Ligand-Target Pair