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Compile Data Set for Download or QSAR

Found 272 hits with Last Name = 'cairo' and Initial = 'cw'   
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))
BDBM50270464
PNG
(CHEMBL4076203)
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260n/an/an/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50270464
PNG
(CHEMBL4076203)
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280n/an/an/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50270441
PNG
(CHEMBL4099818)
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320n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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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1.60E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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 4


(Homo sapiens (Human))
BDBM50270441
PNG
(CHEMBL4099818)
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5.00E+3n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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 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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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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5.80E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50331945
PNG
(Asp-BrPmp-Leu | CHEMBL1289231)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(Br)P(O)(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H29BrN3O9P/c1-10(2)7-15(20(29)30)24-19(28)14(23-18(27)13(22)9-16(25)26)8-11-3-5-12(6-4-11)17(21)34(31,32)33/h3-6,10,13-15,17H,7-9,22H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)(H,29,30)(H2,31,32,33)/t13-,14-,15-,17?/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human CD45-cytoplasmic domain at 35 uM after 10 mins by Kitz-Wilson analysis


Bioorg Med Chem 18: 8679-86 (2010)


Article DOI: 10.1016/j.bmc.2010.09.040
BindingDB Entry DOI: 10.7270/Q2H995FP
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50270441
PNG
(CHEMBL4099818)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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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2.50E+4n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
More data for this
Ligand-Target Pair
Sialidase 4


(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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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50331944
PNG
(CHEMBL1288332 | L-BrPmp-OH)
Show SMILES N[C@@H](Cc1ccc(cc1)C(Br)P(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H13BrNO5P/c11-9(18(15,16)17)7-3-1-6(2-4-7)5-8(12)10(13)14/h1-4,8-9H,5,12H2,(H,13,14)(H2,15,16,17)/t8-,9?/m0/s1
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4.00E+4n/an/an/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human CD45-cytoplasmic domain at 150 uM after 10 mins by Kitz-Wilson analysis


Bioorg Med Chem 18: 8679-86 (2010)


Article DOI: 10.1016/j.bmc.2010.09.040
BindingDB Entry DOI: 10.7270/Q2H995FP
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50270464
PNG
(CHEMBL4076203)
PDB
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4.80E+4n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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))
BDBM50270464
PNG
(CHEMBL4076203)
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n/an/a 520n/an/an/an/an/an/a


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Citation and Details

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


(Homo sapiens (Human))
BDBM50270441
PNG
(CHEMBL4099818)
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n/an/a 580n/an/an/an/an/an/a


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Citation and Details

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


(Homo sapiens (Human))
BDBM50270442
PNG
(CHEMBL4064112)
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n/an/a 610n/an/an/an/an/an/a


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Citation and Details

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


(Homo sapiens (Human))
BDBM50270464
PNG
(CHEMBL4076203)
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n/an/a 700n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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))
BDBM50270443
PNG
(CHEMBL4062382)
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n/an/a 970n/an/an/an/an/an/a


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Citation and Details

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


(Homo sapiens (Human))
BDBM50270443
PNG
(CHEMBL4062382)
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50270444
PNG
(CHEMBL4071732)
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n/an/a 1.10E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50270446
PNG
(CHEMBL4096864)
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n/an/a 1.30E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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))
BDBM50270456
PNG
(CHEMBL4060974)
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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50270444
PNG
(CHEMBL4071732)
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50270445
PNG
(CHEMBL4069646)
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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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))
BDBM50270464
PNG
(CHEMBL4076203)
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n/an/a 3.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM50270441
PNG
(CHEMBL4099818)
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n/an/a 3.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50270450
PNG
(CHEMBL4089157)
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n/an/a 3.90E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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 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


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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 4


(Homo sapiens (Human))
BDBM50270445
PNG
(CHEMBL4069646)
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n/an/a 5.00E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
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))
BDBM50270455
PNG
(CHEMBL4076383)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01574
More data for this
Ligand-Target Pair
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