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BDBM50320764 5-Acetamido-2,6-anhydro-4-(3-carboxypropyl)amino-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid::CHEMBL1164155

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

InChI Key: InChIKey=GUMHCHWXXZOMDM-ZZEHVWSGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320764   
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)
BDBM50320764
PNG
(5-Acetamido-2,6-anhydro-4-(3-carboxypropyl)amino-3...)
Show SMILES CC(=O)N[C@@H]1[C@@H](NCCCC(O)=O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:13|
Show InChI InChI=1S/C15H24N2O9/c1-7(19)17-12-8(16-4-2-3-11(21)22)5-10(15(24)25)26-14(12)13(23)9(20)6-18/h5,8-9,12-14,16,18,20,23H,2-4,6H2,1H3,(H,17,19)(H,21,22)(H,24,25)/t8-,9+,12+,13+,14+/m0/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+4n/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