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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 5202   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuraminidase


(Influenza A virus (A/Tokyo/3/67(H2N2)))
BDBM5202
PNG
((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC sid
UniChem

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Article
PubMed
20n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...


J Med Chem 48: 3980-90 (2005)


Article DOI: 10.1021/jm049276y
BindingDB Entry DOI: 10.7270/Q2KP80B9
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza B virus (B/Memphis/3/93))
BDBM5202
PNG
((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...


J Med Chem 48: 3980-90 (2005)


Article DOI: 10.1021/jm049276y
BindingDB Entry DOI: 10.7270/Q2KP80B9
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza B virus (B/Lee/40))
BDBM5202
PNG
((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Tokyo/3/67(H2N2)))
BDBM5202
PNG
((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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Article
PubMed
150n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...


J Med Chem 48: 3980-90 (2005)


Article DOI: 10.1021/jm049276y
BindingDB Entry DOI: 10.7270/Q2KP80B9
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza B virus (B/Memphis/3/93))
BDBM5202
PNG
((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...


J Med Chem 48: 3980-90 (2005)


Article DOI: 10.1021/jm049276y
BindingDB Entry DOI: 10.7270/Q2KP80B9
More data for this
Ligand-Target Pair