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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50320769'   
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)		BDBM50320769
PNG
(5-Acetamido-2,6-anhydro-4-{N-[3-(4-methylpiperazin...)
Show SMILES CN1CCN(CC1)C(=O)CCCN([C@H]1C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O)C(N)=N |r,c:15|
Show InChI InChI=1S/C21H36N6O8/c1-12(29)24-17-13(10-15(20(33)34)35-19(17)18(32)14(30)11-28)27(21(22)23)5-3-4-16(31)26-8-6-25(2)7-9-26/h10,13-14,17-19,28,30,32H,3-9,11H2,1-2H3,(H3,22,23)(H,24,29)(H,33,34)/t13-,14+,17+,18+,19+/m0/s1
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase

Bioorg Med Chem 18: 4074-84 (2010)


Article DOI: 10.1016/j.bmc.2010.04.010
BindingDB Entry DOI: 10.7270/Q2WD41KC
More data for this
Ligand-Target Pair