new BindingDB logo
myBDB logout

BDBM50320771 5-Acetamido-2,6-anhydro-4-[N-(3-carboxypropyl)guanidino]-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid::CHEMBL1164186

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

InChI Key: InChIKey=WMNMGPIQVYBPRB-ZZEHVWSGSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50320771   
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)
BDBM50320771
PNG
(5-Acetamido-2,6-anhydro-4-[N-(3-carboxypropyl)guan...)
Show SMILES CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N(CCCC(O)=O)C(N)=N)C(O)=O)[C@H](O)[C@H](O)CO |r,c:7|
Show InChI InChI=1S/C16H26N4O9/c1-7(22)19-12-8(20(16(17)18)4-2-3-11(24)25)5-10(15(27)28)29-14(12)13(26)9(23)6-21/h5,8-9,12-14,21,23,26H,2-4,6H2,1H3,(H3,17,18)(H,19,22)(H,24,25)(H,27,28)/t8-,9+,12+,13+,14+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.12E+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