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PubMed code 8126701

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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 A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50040516
PNG
(3-(acetylamino)-4-{[amino(iminio)methyl]amino}-2-[...)
Show SMILES CC(=O)NC1C(OC(=CC1[NH+]=C(N)N)C([O-])=O)C(O)C(O)CO
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)
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Article
PubMed
1n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
inhibition of Influenza A Sialidase


J Med Chem 37: 616-24 (1994)

Checked by Author
Article DOI: 10.1021/jm00031a011
BindingDB Entry DOI: 10.7270/Q27P901J
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50040515
PNG
(3-(acetylamino)-4-ammonio-2-[(1R,2R)-1,2,3-trihydr...)
Show SMILES CC(=O)NC1C([NH3+])C=C(OC1[C@H](O)[C@H](O)CO)C([O-])=O
Show InChI InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5?,6-,8?,9-,10?/m1/s1
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PubMed
40n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
inhibition of Influenza A Sialidase


J Med Chem 37: 616-24 (1994)

Checked by Author
Article DOI: 10.1021/jm00031a011
BindingDB Entry DOI: 10.7270/Q27P901J
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50032861
PNG
(5-((R)-Acetylamino)-4-hydroxy-6-((1R,2R)-1,2,3-tri...)
Show SMILES CC(=O)NC1C(O)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5?,6-,8?,9-,10?/m1/s1
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Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
inhibition of Influenza A Sialidase


J Med Chem 37: 616-24 (1994)

Checked by Author
Article DOI: 10.1021/jm00031a011
BindingDB Entry DOI: 10.7270/Q27P901J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%