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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50037546'   
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))		BDBM50037546
PNG
(CHEMBL3357205)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOCc1ccccc1 |r,c:7|
Show InChI InChI=1S/C22H33N5O4/c1-4-17(5-2)31-19-12-16(11-18(26-22(23)24)20(19)25-14(3)28)21(29)27-30-13-15-9-7-6-8-10-15/h6-10,12,17-20H,4-5,11,13H2,1-3H3,(H,25,28)(H,27,29)(H4,23,24,26)/t18-,19+,20+/m0/s1
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Article
PubMed
n/an/a 8.5n/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