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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50037554'   
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))		BDBM50037554
PNG
(CHEMBL3357213)
Show SMILES CCCCS(=O)(=O)NC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:10|
Show InChI InChI=1S/C19H35N5O5S/c1-5-8-9-30(27,28)24-18(26)13-10-15(23-19(20)21)17(22-12(4)25)16(11-13)29-14(6-2)7-3/h11,14-17H,5-10H2,1-4H3,(H,22,25)(H,24,26)(H4,20,21,23)/t15-,16+,17+/m0/s1
PDB

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PC sid
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Similars
Article
PubMed
n/an/a 42n/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