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BDBM50320772 5-Acetamido-2,6-anhydro-4-[N-(4-aminobutyl)guanidino]-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid::CHEMBL1164185

SMILES: CC(=O)N[C@H]1C(OC(=C[C@@H]1N(CCCCN)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO

InChI Key: InChIKey=WYYAQMPTVYCKPG-VFOZNROTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320772   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuraminidase


(Influenza A virus)
BDBM50320772
PNG
(5-Acetamido-2,6-anhydro-4-[N-(4-aminobutyl)guanidi...)
Show SMILES CC(=O)N[C@H]1C(OC(=C[C@@H]1N(CCCCN)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
Show InChI InChI=1S/C16H29N5O7/c1-8(23)20-12-9(21(16(18)19)5-3-2-4-17)6-11(15(26)27)28-14(12)13(25)10(24)7-22/h6,9-10,12-14,22,24-25H,2-5,7,17H2,1H3,(H3,18,19)(H,20,23)(H,26,27)/t9-,10+,12+,13+,14?/m0/s1
PDB
MMDB

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/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