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BDBM50320776 5-Acetamido-2,6-anhydro-4-(4,5-dihydroimidazol-2-yl)amino-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid::CHEMBL1164156

SMILES: [#6]-[#6](=O)-[#7]-[#6@H]-1-[#6@@H](-[#8]-[#6](=[#6]-[#6@@H]-1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1)-[#6](-[#8])=O)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8]

InChI Key: InChIKey=BCGVBFUTVOPLGY-RULNCXCMSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320776   
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)
BDBM50320776
PNG
(5-Acetamido-2,6-anhydro-4-(4,5-dihydroimidazol-2-y...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H]-1-[#6@@H](-[#8]-[#6](=[#6]-[#6@@H]-1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1)-[#6](-[#8])=O)-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:7|
Show InChI InChI=1S/C14H22N4O7/c1-6(20)17-10-7(18-14-15-2-3-16-14)4-9(13(23)24)25-12(10)11(22)8(21)5-19/h4,7-8,10-12,19,21-22H,2-3,5H2,1H3,(H,17,20)(H,23,24)(H2,15,16,18)/t7-,8+,10+,11+,12+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
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