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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'wutzler' and Initial = 'p'   
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/Puerto Rico/8/34/Mount Sinai(...)
BDBM50300188
PNG
(CHEMBL480470 | katsumadain A)
Show SMILES O=C(CCc1ccccc1)C[C@@H]1C[C@@H](c2ccccc2)c2c(O1)cc(\C=C\c1ccccc1)oc2=O |r|
Show InChI InChI=1S/C32H28O4/c33-26(18-16-23-10-4-1-5-11-23)20-28-21-29(25-14-8-3-9-15-25)31-30(35-28)22-27(36-32(31)34)19-17-24-12-6-2-7-13-24/h1-15,17,19,22,28-29H,16,18,20-21H2/b19-17+/t28-,29+/m1/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assay


J Med Chem 53: 778-86 (2010)


Article DOI: 10.1021/jm901440f
BindingDB Entry DOI: 10.7270/Q2QV3MKZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50300189
PNG
((S)-1,7-Diphenyl-6(E)-hepten-3-ol | (S)-1,7-diphen...)
Show SMILES O[C@@H](CC\C=C\c1ccccc1)CCc1ccccc1 |r|
Show InChI InChI=1S/C19H22O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-7,9-13,19-20H,8,14-16H2/b13-7+/t19-/m0/s1
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n/an/a 4.13E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assay


J Med Chem 53: 778-86 (2010)


Article DOI: 10.1021/jm901440f
BindingDB Entry DOI: 10.7270/Q2QV3MKZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50300192
PNG
((E,E)-5-Hydroxy-1,7-diphenyl-4,6-heptadien-3-one |...)
Show SMILES O=C(CCc1ccccc1)CC(=O)C=Cc1ccccc1 |w:13.13|
Show InChI InChI=1S/C19H18O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13H,12,14-15H2
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n/an/a 4.67E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assay


J Med Chem 53: 778-86 (2010)


Article DOI: 10.1021/jm901440f
BindingDB Entry DOI: 10.7270/Q2QV3MKZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50300191
PNG
((E,E)-1,7-Diphenyl-4,6-heptadien-3-one | 1,7-diphe...)
Show SMILES O=C(CCc1ccccc1)C=CC=Cc1ccccc1 |w:10.10,12.12|
Show InChI InChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assay


J Med Chem 53: 778-86 (2010)


Article DOI: 10.1021/jm901440f
BindingDB Entry DOI: 10.7270/Q2QV3MKZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50300190
PNG
((3S,5S)-trans-3,5-Dihydroxy-1,7-diphenyl-1-heptene...)
Show SMILES O[C@@H](CCc1ccccc1)C[C@H](O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C19H22O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,18-21H,12,14-15H2/b13-11+/t18-,19+/m1/s1
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n/an/a 2.98E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assay


J Med Chem 53: 778-86 (2010)


Article DOI: 10.1021/jm901440f
BindingDB Entry DOI: 10.7270/Q2QV3MKZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM11021
PNG
((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol |...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]
Show InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
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PubMed
n/an/a 8.14E+4n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assay


J Med Chem 53: 778-86 (2010)


Article DOI: 10.1021/jm901440f
BindingDB Entry DOI: 10.7270/Q2QV3MKZ
More data for this
Ligand-Target Pair