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SMILES: [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7]-[#6]-[#6](-[#6])-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6]=[#6])-[#6](-[#8-])=O

InChI Key: InChIKey=ZOKBDQKAAPAHTN-JTCBYWPXSA-M

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 2 hits for monomerid = 50484776   
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)
BDBM50484776
PNG
(CHEMBL1956717)
Show SMILES [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7]-[#6]-[#6](-[#6])-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6]=[#6])-[#6](-[#8-])=O |r,c:7|
Show InChI InChI=1S/C19H32N2O4.K/c1-6-14(7-2)25-16-10-13(19(23)24)9-15(20-11-12(4)5)18(16)21-17(22)8-3;/h8,10,12,14-16,18,20H,3,6-7,9,11H2,1-2,4-5H3,(H,21,22)(H,23,24);/q;+1/p-1/t15-,16+,18+;/m0./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus H7N1 N1 neuraminidase expressed in baculovirus using 2'-(4-Methylumbelliferyl)-alpha-D-acetyl neuraminic acid as subs...


Bioorg Med Chem 20: 2152-7 (2012)


Article DOI: 10.1016/j.bmc.2012.01.026
BindingDB Entry DOI: 10.7270/Q2KS6VDT
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50484776
PNG
(CHEMBL1956717)
Show SMILES [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7]-[#6]-[#6](-[#6])-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6]=[#6])-[#6](-[#8-])=O |r,c:7|
Show InChI InChI=1S/C19H32N2O4.K/c1-6-14(7-2)25-16-10-13(19(23)24)9-15(20-11-12(4)5)18(16)21-17(22)8-3;/h8,10,12,14-16,18,20H,3,6-7,9,11H2,1-2,4-5H3,(H,21,22)(H,23,24);/q;+1/p-1/t15-,16+,18+;/m0./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus H7N3 N3 neuraminidase expressed in baculovirus using 2'-(4-Methylumbelliferyl)-alpha-D-acetyl neuraminic acid as subs...


Bioorg Med Chem 20: 2152-7 (2012)


Article DOI: 10.1016/j.bmc.2012.01.026
BindingDB Entry DOI: 10.7270/Q2KS6VDT
More data for this
Ligand-Target Pair