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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'albohy' and Initial = 'a'   
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
Sialidase 4


(Homo sapiens (Human))
BDBM50331678
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CO)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C14H20N4O8/c1-6(20)15-11-8(21)2-10(14(24)25)26-13(11)12(23)9(22)4-18-3-7(5-19)16-17-18/h2-3,8-9,11-13,19,21-23H,4-5H2,1H3,(H,15,20)(H,24,25)/t8-,9+,11+,12+,13+/m0/s1
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30n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate measured every 30 seconds for 60 mins by fluorescence plate reader analysis


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331679
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCO)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C15H22N4O8/c1-7(21)16-12-9(22)4-11(15(25)26)27-14(12)13(24)10(23)6-19-5-8(2-3-20)17-18-19/h4-5,9-10,12-14,20,22-24H,2-3,6H2,1H3,(H,16,21)(H,25,26)/t9-,10+,12+,13+,14+/m0/s1
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60n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate measured every 30 seconds for 60 mins by fluorescence plate reader analysis


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 4 using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescence assay


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50428071
PNG
(CHEMBL2325811)
Show SMILES CC(=O)N[C@H]1[C@H](CNOCc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:18|
Show InChI InChI=1S/C16H19N5O5/c1-10(22)19-15-12(20-21-17)7-13(16(23)24)26-14(15)8-18-25-9-11-5-3-2-4-6-11/h2-7,12,14-15,18H,8-9H2,1H3,(H,19,22)(H,23,24)/t12-,14-,15+/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50428069
PNG
(CHEMBL2325813)
Show SMILES CC(=O)N[C@H]1[C@H](CNNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:17|
Show InChI InChI=1S/C15H18N6O4/c1-9(22)18-14-11(20-21-16)7-12(15(23)24)25-13(14)8-17-19-10-5-3-2-4-6-10/h2-7,11,13-14,17,19H,8H2,1H3,(H,18,22)(H,23,24)/t11-,13-,14+/m0/s1
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1.10E+4n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331678
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CO)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C14H20N4O8/c1-6(20)15-11-8(21)2-10(14(24)25)26-13(11)12(23)9(22)4-18-3-7(5-19)16-17-18/h2-3,8-9,11-13,19,21-23H,4-5H2,1H3,(H,15,20)(H,24,25)/t8-,9+,11+,12+,13+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331678
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CO)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C14H20N4O8/c1-6(20)15-11-8(21)2-10(14(24)25)26-13(11)12(23)9(22)4-18-3-7(5-19)16-17-18/h2-3,8-9,11-13,19,21-23H,4-5H2,1H3,(H,15,20)(H,24,25)/t8-,9+,11+,12+,13+/m0/s1
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n/an/a 740n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using GM3 as substrate preincubated for 30 mins before substrate addition measured after 1 hr by fluorescence plate reader a...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331679
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCO)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C15H22N4O8/c1-7(21)16-12-9(22)4-11(15(25)26)27-14(12)13(24)10(23)6-19-5-8(2-3-20)17-18-19/h4-5,9-10,12-14,20,22-24H,2-3,6H2,1H3,(H,16,21)(H,25,26)/t9-,10+,12+,13+,14+/m0/s1
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n/an/a 810n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331677
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(COc2ccccc2)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C20H24N4O8/c1-11(25)21-17-14(26)7-16(20(29)30)32-19(17)18(28)15(27)9-24-8-12(22-23-24)10-31-13-5-3-2-4-6-13/h2-8,14-15,17-19,26-28H,9-10H2,1H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331680
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCCO)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C16H24N4O8/c1-8(22)17-13-10(23)5-12(16(26)27)28-15(13)14(25)11(24)7-20-6-9(18-19-20)3-2-4-21/h5-6,10-11,13-15,21,23-25H,2-4,7H2,1H3,(H,17,22)(H,26,27)/t10-,11+,13+,14+,15+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331673
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C19H22N4O7/c1-10(24)20-16-13(25)7-15(19(28)29)30-18(16)17(27)14(26)9-23-8-12(21-22-23)11-5-3-2-4-6-11/h2-8,13-14,16-18,25-27H,9H2,1H3,(H,20,24)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331675
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-ethoxy-1H-1...)
Show SMILES CCOc1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1 |r,c:13|
Show InChI InChI=1S/C15H22N4O8/c1-3-26-11-6-19(18-17-11)5-9(22)13(23)14-12(16-7(2)20)8(21)4-10(27-14)15(24)25/h4,6,8-9,12-14,21-23H,3,5H2,1-2H3,(H,16,20)(H,24,25)/t8-,9+,12+,13+,14+/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331681
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)C(C)(C)O)C(O)=O |r,c:7|
Show InChI InChI=1S/C16H24N4O8/c1-7(21)17-12-8(22)4-10(15(25)26)28-14(12)13(24)9(23)5-20-6-11(18-19-20)16(2,3)27/h4,6,8-9,12-14,22-24,27H,5H2,1-3H3,(H,17,21)(H,25,26)/t8-,9+,12+,13+,14+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331682
PNG
((2R,3R,4S)-3-(2-azidoacetamido)-4-hydroxy-2-((1R,2...)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CN=[N+]=[N-])C(O)=O |r,c:8|
Show InChI InChI=1S/C11H16N4O8/c12-15-13-2-7(19)14-8-4(17)1-6(11(21)22)23-10(8)9(20)5(18)3-16/h1,4-5,8-10,16-18,20H,2-3H2,(H,14,19)(H,21,22)/t4-,5+,8+,9+,10+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331673
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C19H22N4O7/c1-10(24)20-16-13(25)7-15(19(28)29)30-18(16)17(27)14(26)9-23-8-12(21-22-23)11-5-3-2-4-6-11/h2-8,13-14,16-18,25-27H,9H2,1H3,(H,20,24)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331682
PNG
((2R,3R,4S)-3-(2-azidoacetamido)-4-hydroxy-2-((1R,2...)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CN=[N+]=[N-])C(O)=O |r,c:8|
Show InChI InChI=1S/C11H16N4O8/c12-15-13-2-7(19)14-8-4(17)1-6(11(21)22)23-10(8)9(20)5(18)3-16/h1,4-5,8-10,16-18,20H,2-3H2,(H,14,19)(H,21,22)/t4-,5+,8+,9+,10+/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331677
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(COc2ccccc2)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C20H24N4O8/c1-11(25)21-17-14(26)7-16(20(29)30)32-19(17)18(28)15(27)9-24-8-12(22-23-24)10-31-13-5-3-2-4-6-13/h2-8,14-15,17-19,26-28H,9-10H2,1H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
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)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of GM3 hydrolysis


Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50331683
PNG
((2R,3R,4S)-4-hydroxy-3-(2-(4-phenyl-1H-1,2,3-triaz...)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)Cn1cc(nn1)-c1ccccc1)C(O)=O |r,c:8|
Show InChI InChI=1S/C19H22N4O8/c24-9-13(26)17(28)18-16(12(25)6-14(31-18)19(29)30)20-15(27)8-23-7-11(21-22-23)10-4-2-1-3-5-10/h1-7,12-13,16-18,24-26,28H,8-9H2,(H,20,27)(H,29,30)/t12-,13+,16+,17+,18+/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU2 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 4 using 4MU-NANA as substrate after 30 mins by fluorescence assay


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
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)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU2 using 4MU-NeuAc as substrate after 15 to 30 mins by fluorimetric analysis


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331692
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-azido-1,2-dihy...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CN=[N+]=[N-])C(O)=O |r,c:7|
Show InChI InChI=1S/C11H16N4O7/c1-4(16)14-8-5(17)2-7(11(20)21)22-10(8)9(19)6(18)3-13-15-12/h2,5-6,8-10,17-19H,3H2,1H3,(H,14,16)(H,20,21)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 1.97E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331673
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C19H22N4O7/c1-10(24)20-16-13(25)7-15(19(28)29)30-18(16)17(27)14(26)9-23-8-12(21-22-23)11-5-3-2-4-6-11/h2-8,13-14,16-18,25-27H,9H2,1H3,(H,20,24)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay


Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50428069
PNG
(CHEMBL2325813)
Show SMILES CC(=O)N[C@H]1[C@H](CNNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:17|
Show InChI InChI=1S/C15H18N6O4/c1-9(22)18-14-11(20-21-16)7-12(15(23)24)25-13(14)8-17-19-10-5-3-2-4-6-10/h2-7,11,13-14,17,19H,8H2,1H3,(H,18,22)(H,23,24)/t11-,13-,14+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331682
PNG
((2R,3R,4S)-3-(2-azidoacetamido)-4-hydroxy-2-((1R,2...)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CN=[N+]=[N-])C(O)=O |r,c:8|
Show InChI InChI=1S/C11H16N4O8/c12-15-13-2-7(19)14-8-4(17)1-6(11(21)22)23-10(8)9(20)5(18)3-16/h1,4-5,8-10,16-18,20H,2-3H2,(H,14,19)(H,21,22)/t4-,5+,8+,9+,10+/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay


Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4MU-NA as substrate after 1 hr by fluorescence assay


Bioorg Med Chem 19: 2817-22 (2011)


Article DOI: 10.1016/j.bmc.2011.03.039
BindingDB Entry DOI: 10.7270/Q2Z31ZZV
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331674
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-hexyl-1H-1,...)
Show SMILES CCCCCCc1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1 |r,c:16|
Show InChI InChI=1S/C19H30N4O7/c1-3-4-5-6-7-12-9-23(22-21-12)10-14(26)17(27)18-16(20-11(2)24)13(25)8-15(30-18)19(28)29/h8-9,13-14,16-18,25-27H,3-7,10H2,1-2H3,(H,20,24)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay


Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50428070
PNG
(CHEMBL2325812)
Show SMILES CC(=O)N[C@H]1[C@H](CN(Cc2ccccc2)OCc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:26|
Show InChI InChI=1S/C23H25N5O5/c1-16(29)25-22-19(26-27-24)12-20(23(30)31)33-21(22)14-28(13-17-8-4-2-5-9-17)32-15-18-10-6-3-7-11-18/h2-12,19,21-22H,13-15H2,1H3,(H,25,29)(H,30,31)/t19-,21-,22+/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50428071
PNG
(CHEMBL2325811)
Show SMILES CC(=O)N[C@H]1[C@H](CNOCc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:18|
Show InChI InChI=1S/C16H19N5O5/c1-10(22)19-15-12(20-21-17)7-13(16(23)24)26-14(15)8-18-25-9-11-5-3-2-4-6-11/h2-7,12,14-15,18H,8-9H2,1H3,(H,19,22)(H,23,24)/t12-,14-,15+/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 1


(Homo sapiens (Human))
BDBM50331682
PNG
((2R,3R,4S)-3-(2-azidoacetamido)-4-hydroxy-2-((1R,2...)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CN=[N+]=[N-])C(O)=O |r,c:8|
Show InChI InChI=1S/C11H16N4O8/c12-15-13-2-7(19)14-8-4(17)1-6(11(21)22)23-10(8)9(20)5(18)3-16/h1,4-5,8-10,16-18,20H,2-3H2,(H,14,19)(H,21,22)/t4-,5+,8+,9+,10+/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU1 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 using 4MU-NA as substrate after 1 hr by fluorescence assay


Bioorg Med Chem 19: 2817-22 (2011)


Article DOI: 10.1016/j.bmc.2011.03.039
BindingDB Entry DOI: 10.7270/Q2Z31ZZV
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50331682
PNG
((2R,3R,4S)-3-(2-azidoacetamido)-4-hydroxy-2-((1R,2...)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CN=[N+]=[N-])C(O)=O |r,c:8|
Show InChI InChI=1S/C11H16N4O8/c12-15-13-2-7(19)14-8-4(17)1-6(11(21)22)23-10(8)9(20)5(18)3-16/h1,4-5,8-10,16-18,20H,2-3H2,(H,14,19)(H,21,22)/t4-,5+,8+,9+,10+/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU2 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331679
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCO)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C15H22N4O8/c1-7(21)16-12-9(22)4-11(15(25)26)27-14(12)13(24)10(23)6-19-5-8(2-3-20)17-18-19/h4-5,9-10,12-14,20,22-24H,2-3,6H2,1H3,(H,16,21)(H,25,26)/t9-,10+,12+,13+,14+/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331680
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCCO)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C16H24N4O8/c1-8(22)17-13-10(23)5-12(16(26)27)28-15(13)14(25)11(24)7-20-6-9(18-19-20)3-2-4-21/h5-6,10-11,13-15,21,23-25H,2-4,7H2,1H3,(H,17,22)(H,26,27)/t10-,11+,13+,14+,15+/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50428069
PNG
(CHEMBL2325813)
Show SMILES CC(=O)N[C@H]1[C@H](CNNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:17|
Show InChI InChI=1S/C15H18N6O4/c1-9(22)18-14-11(20-21-16)7-12(15(23)24)25-13(14)8-17-19-10-5-3-2-4-6-10/h2-7,11,13-14,17,19H,8H2,1H3,(H,18,22)(H,23,24)/t11-,13-,14+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis


Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50063303
PNG
((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...)
Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50331677
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(COc2ccccc2)nn1)C(O)=O |r,c:7|
Show InChI InChI=1S/C20H24N4O8/c1-11(25)21-17-14(26)7-16(20(29)30)32-19(17)18(28)15(27)9-24-8-12(22-23-24)10-31-13-5-3-2-4-6-13/h2-8,14-15,17-19,26-28H,9-10H2,1H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay


Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay


Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50428072
PNG
(CHEMBL2325810)
Show SMILES CC(=O)N[C@H]1[C@H](CNc2ccc(cc2)-c2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O |r,c:23|
Show InChI InChI=1S/C21H21N5O4/c1-13(27)24-20-17(25-26-22)11-18(21(28)29)30-19(20)12-23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11,17,19-20,23H,12H2,1H3,(H,24,27)(H,28,29)/t17-,19-,20+/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50428074
PNG
(CHEMBL2325808)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=[N+]=[N-] |r,c:6|
Show InChI InChI=1S/C11H16N4O7/c1-4(17)13-8-5(14-15-12)2-7(11(20)21)22-10(8)9(19)6(18)3-16/h2,5-6,8-10,16,18-19H,3H2,1H3,(H,13,17)(H,20,21)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50428074
PNG
(CHEMBL2325808)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=[N+]=[N-] |r,c:6|
Show InChI InChI=1S/C11H16N4O7/c1-4(17)13-8-5(14-15-12)2-7(11(20)21)22-10(8)9(19)6(18)3-16/h2,5-6,8-10,16,18-19H,3H2,1H3,(H,13,17)(H,20,21)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50331692
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-azido-1,2-dihy...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CN=[N+]=[N-])C(O)=O |r,c:7|
Show InChI InChI=1S/C11H16N4O7/c1-4(16)14-8-5(17)2-7(11(20)21)22-10(8)9(19)6(18)3-13-15-12/h2,5-6,8-10,17-19H,3H2,1H3,(H,14,16)(H,20,21)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human NEU4 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...


ACS Med Chem Lett 4: 532-7 (2013)


Article DOI: 10.1021/ml400080t
BindingDB Entry DOI: 10.7270/Q25H7HNQ
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
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+/m0/s1
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n/an/a 6.10E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis


Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50428075
PNG
(CHEMBL2323564)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNNCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C22H25N3O5/c1-14(26)25-21-18(27)11-19(22(28)29)30-20(21)13-24-23-12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-11,18,20-21,23-24,27H,12-13H2,1H3,(H,25,26)(H,28,29)/t18-,20-,21+/m0/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair
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