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BDBM50320770 5-Acetamido-2,6-anhydro-4-[N-(3-piperazinocarbonyl)propyl]guanidino-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid::CHEMBL1165529

SMILES: CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(=O)N1CCNCC1)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO

InChI Key: InChIKey=WFADZALWQKQQCG-NYMASUJMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320770   
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)
BDBM50320770
PNG
(5-Acetamido-2,6-anhydro-4-[N-(3-piperazinocarbonyl...)
Show SMILES CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(=O)N1CCNCC1)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
Show InChI InChI=1S/C20H34N6O8/c1-11(28)24-16-12(9-14(19(32)33)34-18(16)17(31)13(29)10-27)26(20(21)22)6-2-3-15(30)25-7-4-23-5-8-25/h9,12-13,16-18,23,27,29,31H,2-8,10H2,1H3,(H3,21,22)(H,24,28)(H,32,33)/t12-,13+,16+,17+,18+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.15E+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