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Compile Data Set for Download or QSAR

Found 179 hits of ic50 data for polymerid = 50001640   
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
Sialidase-3


(Homo sapiens (Human))
BDBM50270441
PNG
(CHEMBL4099818)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3|
Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1
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n/an/a 580n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270442
PNG
(CHEMBL4064112)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)C(O)=O |r,c:3|
Show InChI InChI=1S/C21H25N7O8/c1-9(29)24-16-12(25-21(22)23)6-15(20(34)35)36-18(16)17(31)14(30)8-28-7-13(26-27-28)10-2-4-11(5-3-10)19(32)33/h2-7,12,14,16-18,30-31H,8H2,1H3,(H,24,29)(H,32,33)(H,34,35)(H4,22,23,25)/t12-,14+,16+,17+,18+/m0/s1
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n/an/a 610n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270464
PNG
(CHEMBL4076203)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3|
Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1
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n/an/a 700n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270443
PNG
(CHEMBL4062382)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(Oc2ccccc2)cc1 |r,c:3|
Show InChI InChI=1S/C25H26N4O8/c1-14(30)26-22-19(31)11-21(25(34)35)37-24(22)23(33)20(32)13-29-12-18(27-28-29)15-7-9-17(10-8-15)36-16-5-3-2-4-6-16/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270444
PNG
(CHEMBL4071732)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)C(O)=O |r,c:3|
Show InChI InChI=1S/C20H22N4O9/c1-9(25)21-16-13(26)6-15(20(31)32)33-18(16)17(28)14(27)8-24-7-12(22-23-24)10-2-4-11(5-3-10)19(29)30/h2-7,13-14,16-18,26-28H,8H2,1H3,(H,21,25)(H,29,30)(H,31,32)/t13-,14+,16+,17+,18+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
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 2.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115563
BindingDB Entry DOI: 10.7270/Q2JS9V42
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270445
PNG
(CHEMBL4069646)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)C(F)(F)F |r,c:3|
Show InChI InChI=1S/C20H21F3N4O7/c1-9(28)24-16-13(29)6-15(19(32)33)34-18(16)17(31)14(30)8-27-7-12(25-26-27)10-2-4-11(5-3-10)20(21,22)23/h2-7,13-14,16-18,29-31H,8H2,1H3,(H,24,28)(H,32,33)/t13-,14+,16+,17+,18+/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270441
PNG
(CHEMBL4099818)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3|
Show InChI InChI=1S/C26H29N7O6/c1-14(34)29-22-18(30-26(27)28)11-21(25(37)38)39-24(22)23(36)20(35)13-33-12-19(31-32-33)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,18,20,22-24,35-36H,13H2,1H3,(H,29,34)(H,37,38)(H4,27,28,30)/t18-,20+,22+,23+,24+/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate add...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50559931
PNG
(CHEMBL4745230)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)C(F)(F)F)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
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n/an/a 3.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human NEU3 expressed in HEK293A cells as substrate incubated for 1 hr by spectrofluorometric analysis


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115563
BindingDB Entry DOI: 10.7270/Q2JS9V42
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 4.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused recombinant human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed...


Bioorg Med Chem 26: 5349-5358 (2018)


Article DOI: 10.1016/j.bmc.2018.05.035
BindingDB Entry DOI: 10.7270/Q29W0J57
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 4.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
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 4.40E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
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))
BDBM50270455
PNG
(CHEMBL4076383)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(NC(C)=O)cc1 |r,c:3|
Show InChI InChI=1S/C21H25N5O8/c1-10(27)22-13-5-3-12(4-6-13)14-8-26(25-24-14)9-16(30)19(31)20-18(23-11(2)28)15(29)7-17(34-20)21(32)33/h3-8,15-16,18-20,29-31H,9H2,1-2H3,(H,22,27)(H,23,28)(H,32,33)/t15-,16+,18+,19+,20+/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 N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
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))
BDBM50270456
PNG
(CHEMBL4060974)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(OC)cc1 |r,c:3|
Show InChI InChI=1S/C20H24N4O8/c1-10(25)21-17-14(26)7-16(20(29)30)32-19(17)18(28)15(27)9-24-8-13(22-23-24)11-3-5-12(31-2)6-4-11/h3-8,14-15,17-19,26-28H,9H2,1-2H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
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))
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))
BDBM50465967
PNG
(CHEMBL4285561)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(CCCCC)nn1 |r,c:3|
Show InChI InChI=1S/C18H28N4O7/c1-3-4-5-6-11-8-22(21-20-11)9-13(25)16(26)17-15(19-10(2)23)12(24)7-14(29-17)18(27)28/h7-8,12-13,15-17,24-26H,3-6,9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,15+,16+,17+/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
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 6.80E+3n/an/an/an/an/an/a



Miyagi Cancer Center Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NEU3 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using ganglioside GM3 substrate


Antimicrob Agents Chemother 52: 3484-91 (2008)


Article DOI: 10.1128/AAC.00344-08
BindingDB Entry DOI: 10.7270/Q2BR8T42
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-3


(Homo sapiens (Human))
BDBM50465975
PNG
(CHEMBL4277321)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)c1cccc(NC(C)=O)c1 |r,c:3|
Show InChI InChI=1S/C20H25N3O9/c1-9(24)22-12-5-3-4-11(6-12)19(29)21-8-14(27)17(28)18-16(23-10(2)25)13(26)7-15(32-18)20(30)31/h3-7,13-14,16-18,26-28H,8H2,1-2H3,(H,21,29)(H,22,24)(H,23,25)(H,30,31)/t13-,14+,16+,17+,18+/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50465961
PNG
(CHEMBL4279510)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)c1ccc(NC(C)=O)cc1 |r,c:3|
Show InChI InChI=1S/C20H25N3O9/c1-9(24)22-12-5-3-11(4-6-12)19(29)21-8-14(27)17(28)18-16(23-10(2)25)13(26)7-15(32-18)20(30)31/h3-7,13-14,16-18,26-28H,8H2,1-2H3,(H,21,29)(H,22,24)(H,23,25)(H,30,31)/t13-,14+,16+,17+,18+/m0/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
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 7.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
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 7.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of MBP-fused recombinant human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed...


Bioorg Med Chem 26: 5349-5358 (2018)


Article DOI: 10.1016/j.bmc.2018.05.035
BindingDB Entry DOI: 10.7270/Q29W0J57
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 7.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01612
BindingDB Entry DOI: 10.7270/Q21J9FT0
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 7.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
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 8.17E+3n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of human Neu3 expressed in HEK293T cells using GM3 as substrate incubated for 30 mins by HPLC analysis


J Med Chem 59: 4563-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01863
BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270450
PNG
(CHEMBL4089157)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(C)cc1 |r,c:3|
Show InChI InChI=1S/C20H24N4O7/c1-10-3-5-12(6-4-10)13-8-24(23-22-13)9-15(27)18(28)19-17(21-11(2)25)14(26)7-16(31-19)20(29)30/h3-8,14-15,17-19,26-28H,9H2,1-2H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270451
PNG
(CHEMBL4084911)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(N)cc1 |r,c:3|
Show InChI InChI=1S/C19H23N5O7/c1-9(25)21-16-13(26)6-15(19(29)30)31-18(16)17(28)14(27)8-24-7-12(22-23-24)10-2-4-11(20)5-3-10/h2-7,13-14,16-18,26-28H,8,20H2,1H3,(H,21,25)(H,29,30)/t13-,14+,16+,17+,18+/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270452
PNG
(CHEMBL4080360)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)N(C)C |r,c:3|
Show InChI InChI=1S/C21H27N5O7/c1-11(27)22-18-15(28)8-17(21(31)32)33-20(18)19(30)16(29)10-26-9-14(23-24-26)12-4-6-13(7-5-12)25(2)3/h4-9,15-16,18-20,28-30H,10H2,1-3H3,(H,22,27)(H,31,32)/t15-,16+,18+,19+,20+/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270464
PNG
(CHEMBL4076203)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r,c:3|
Show InChI InChI=1S/C25H26N4O7/c1-14(30)26-22-19(31)11-21(25(34)35)36-24(22)23(33)20(32)13-29-12-18(27-28-29)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-12,19-20,22-24,31-33H,13H2,1H3,(H,26,30)(H,34,35)/t19-,20+,22+,23+,24+/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using GM3 as substrate preincubated for 15 mins followed by substrate add...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50465994
PNG
(CHEMBL4288490)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(=O)CCC)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C13H21NO8/c1-2-3-9(18)14-10-6(16)4-8(13(20)21)22-12(10)11(19)7(17)5-15/h4,6-7,10-12,15-17,19H,2-3,5H2,1H3,(H,14,18)(H,20,21)/t6-,7+,10+,11+,12+/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50270446
PNG
(CHEMBL4096864)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(F)cc1 |r,c:3|
Show InChI InChI=1S/C19H21FN4O7/c1-9(25)21-16-13(26)6-15(19(29)30)31-18(16)17(28)14(27)8-24-7-12(22-23-24)10-2-4-11(20)5-3-10/h2-7,13-14,16-18,26-28H,8H2,1H3,(H,21,25)(H,29,30)/t13-,14+,16+,17+,18+/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
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))
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))
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))
BDBM50270465
PNG
(CHEMBL4081811)
Show SMILES [H][C@]1(OC(=C[C@H](N=[N+]=[N-])[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)Cn1cc(nn1)-c1ccc(cc1)C(O)=O |r,c:3|
Show InChI InChI=1S/C20H21N7O8/c1-9(28)22-16-12(23-25-21)6-15(20(33)34)35-18(16)17(30)14(29)8-27-7-13(24-26-27)10-2-4-11(5-3-10)19(31)32/h2-7,12,14,16-18,29-30H,8H2,1H3,(H,22,28)(H,31,32)(H,33,34)/t12-,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 N-terminal MBP-fused NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 1990-2008 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01574
BindingDB Entry DOI: 10.7270/Q2XS5XV6
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-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-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-3


(Homo sapiens (Human))
BDBM50465991
PNG
(CHEMBL4277615)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCNC(=O)c1ccc(NC(C)=O)cc1 |r,c:3|
Show InChI InChI=1S/C25H34N4O10/c1-13(30)28-16-8-6-15(7-9-16)24(36)26-10-4-3-5-20(34)27-12-18(33)22(35)23-21(29-14(2)31)17(32)11-19(39-23)25(37)38/h6-9,11,17-18,21-23,32-33,35H,3-5,10,12H2,1-2H3,(H,26,36)(H,27,34)(H,28,30)(H,29,31)(H,37,38)/t17-,18+,21+,22+,23+/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50465959
PNG
(CHEMBL4287431)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)c1ccc(N)cc1 |r,c:3|
Show InChI InChI=1S/C18H23N3O8/c1-8(22)21-14-11(23)6-13(18(27)28)29-16(14)15(25)12(24)7-20-17(26)9-2-4-10(19)5-3-9/h2-6,11-12,14-16,23-25H,7,19H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t11-,12+,14+,15+,16+/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50331694
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-benzamido-1,2-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C18H22N2O8/c1-9(21)20-14-11(22)7-13(18(26)27)28-16(14)15(24)12(23)8-19-17(25)10-5-3-2-4-6-10/h2-7,11-12,14-16,22-24H,8H2,1H3,(H,19,25)(H,20,21)(H,26,27)/t11-,12+,14+,15+,16+/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair
Sialidase-3


(Homo sapiens (Human))
BDBM50465971
PNG
(CHEMBL4290845)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)c1cccc(N)c1 |r,c:3|
Show InChI InChI=1S/C18H23N3O8/c1-8(22)21-14-11(23)6-13(18(27)28)29-16(14)15(25)12(24)7-20-17(26)9-3-2-4-10(19)5-9/h2-6,11-12,14-16,23-25H,7,19H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t11-,12+,14+,15+,16+/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
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))
BDBM50465970
PNG
(CHEMBL4286541)
Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCCC |r,c:3|
Show InChI InChI=1S/C18H30N2O8/c1-3-4-5-6-7-14(24)19-9-12(23)16(25)17-15(20-10(2)21)11(22)8-13(28-17)18(26)27/h8,11-12,15-17,22-23,25H,3-7,9H2,1-2H3,(H,19,24)(H,20,21)(H,26,27)/t11-,12+,15+,16+,17+/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 N-terminal MBP-fused human NEU3 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrat...


J Med Chem 61: 11261-11279 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01411
BindingDB Entry DOI: 10.7270/Q2GF0X5V
More data for this
Ligand-Target Pair
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