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BDBM50320768 5-Acetamido-2,6-anhydro-4-{N-[3-(morpholinocarbonyl)propyl]guanidino}-3,4,5-trideoxy-D-glycero-D-galactonon-2-enonic acid::CHEMBL1164661

SMILES: CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(=O)N1CCOCC1)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO

InChI Key: InChIKey=DTCQXQDEGOQCSO-NYMASUJMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320768   
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)
BDBM50320768
PNG
(5-Acetamido-2,6-anhydro-4-{N-[3-(morpholinocarbony...)
Show SMILES CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(=O)N1CCOCC1)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
Show InChI InChI=1S/C20H33N5O9/c1-11(27)23-16-12(9-14(19(31)32)34-18(16)17(30)13(28)10-26)25(20(21)22)4-2-3-15(29)24-5-7-33-8-6-24/h9,12-13,16-18,26,28,30H,2-8,10H2,1H3,(H3,21,22)(H,23,27)(H,31,32)/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 3.33E+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