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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with Target = 'Sialidase 2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 2


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
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=C(N)N
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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1.70E+4n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
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
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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1.40E+5n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
BDBM50382737
PNG
(CHEMBL2022774)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](Oc2ccc(cc2C(F)F)-n2cc(nn2)-c2cccc(NC(=O)C(Cl)Cl)c2)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C28H29Cl2F2N5O10/c1-12(39)33-21-18(40)9-28(27(44)45,47-23(21)22(42)19(41)11-38)46-20-6-5-15(8-16(20)25(31)32)37-10-17(35-36-37)13-3-2-4-14(7-13)34-26(43)24(29)30/h2-8,10,18-19,21-25,38,40-42H,9,11H2,1H3,(H,33,39)(H,34,43)(H,44,45)/t18-,19+,21+,22+,23+,28+/m0/s1
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2.16E+5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase2 using 4-MU-NANA as substrate preincubated 15 mins prior addition of substrate by fluorimetry relative to control i...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50295841
PNG
(4-Acetamido-5-(biphenyl-4-ylcarboxamido)-2-fluorob...)
Show SMILES CC(=O)Nc1cc(F)c(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H17FN2O4/c1-13(26)24-20-12-18(23)17(22(28)29)11-19(20)25-21(27)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)
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3.07E+5n/an/an/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of human NEU2 transiently transfected in HEK293 cells by Line-Weaver Burk plotting


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM5024
PNG
((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...)
Show SMILES CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
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3.30E+5n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50314987
PNG
((2S,3R,4R)-3-acetamido-4-hydroxy-2-(3-hydroxypropo...)
Show SMILES CC(=O)N[C@@H]1[C@H](O)C=C(O[C@@H]1OCCCO)C(O)=O
Show InChI InChI=1S/C11H17NO7/c1-6(14)12-9-7(15)5-8(10(16)17)19-11(9)18-4-2-3-13/h5,7,9,11,13,15H,2-4H2,1H3,(H,12,14)(H,16,17)/t7-,9-,11+/m1/s1
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7.40E+5n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50314988
PNG
((2S,3R,4R)-3-acetamido-4-hydroxy-2-isobutoxy-3,4-d...)
Show SMILES CC(C)CO[C@H]1OC(=C[C@@H](O)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C12H19NO6/c1-6(2)5-18-12-10(13-7(3)14)8(15)4-9(19-12)11(16)17/h4,6,8,10,12,15H,5H2,1-3H3,(H,13,14)(H,16,17)/t8-,10-,12+/m1/s1
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8.80E+5n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50314986
PNG
((2S,3R,4R)-3-acetamido-2-(2,3-dihydroxypropoxy)-4-...)
Show SMILES CC(=O)N[C@@H]1[C@H](O)C=C(O[C@@H]1OCC(O)CO)C(O)=O
Show InChI InChI=1S/C11H17NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h2,6-7,9,11,13,15-16H,3-4H2,1H3,(H,12,14)(H,17,18)/t6?,7-,9-,11+/m1/s1
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1.40E+6n/an/an/an/an/an/an/an/a



PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 2


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50382736
PNG
(CHEMBL2022772)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@@](Oc2ccc(cc2C(F)F)N=[N+]=[N-])(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C18H22F2N4O9/c1-7(26)22-13-10(27)5-18(17(30)31,33-15(13)14(29)11(28)6-25)32-12-3-2-8(23-24-21)4-9(12)16(19)20/h2-4,10-11,13-16,25,27-29H,5-6H2,1H3,(H,22,26)(H,30,31)/t10-,11+,13+,14+,15+,18+/m0/s1
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2.00E+7n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase2 using 4-MU-NANA as substrate preincubated 15 mins prior addition of substrate by fluorimetry relative to control i...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
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=C(N)N
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 1.53E+4n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 expressed in HEK293T cells using 4MU-Neu5Ac as substrate incubated for 30 mins by HPLC analysis


J Med Chem 59: 4563-77 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
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=C(N)N
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
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=C(N)N
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 1.64E+4n/an/an/an/an/an/a



Miyagi Cancer Center Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NEU2 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using 4MU-NeuAc substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
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
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


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50428069
PNG
(CHEMBL2325813)
Show SMILES CC(=O)N[C@H]1[C@H](CNNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O
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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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 4.00E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of human NEU2 transiently transfected in HEK293T cells by fluorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
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
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



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of human NEU2 expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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 4.55E+4n/an/an/an/an/an/a



Miyagi Cancer Center Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human NEU2 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using 4MU-NeuAc substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
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
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 5.00E+4n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 expressed in HEK293T cells using 4MU-Neu5Ac as substrate incubated for 30 mins by HPLC analysis


J Med Chem 59: 4563-77 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
BDBM23411
PNG
(5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
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n/an/a 5.50E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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-]
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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50312646
PNG
(5,7,2'-Trihydroxyflavone | 5,7-dihydroxy-2-(2-hydr...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1O
Show InChI InChI=1S/C15H10O5/c16-8-5-11(18)15-12(19)7-13(20-14(15)6-8)9-3-1-2-4-10(9)17/h1-7,16-18H
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n/an/a 7.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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 7.40E+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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50428076
PNG
(CHEMBL2323563)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNCc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H20N2O5/c1-10(19)18-15-12(20)7-13(16(21)22)23-14(15)9-17-8-11-5-3-2-4-6-11/h2-7,12,14-15,17,20H,8-9H2,1H3,(H,18,19)(H,21,22)/t12-,14-,15+/m0/s1
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n/an/a 8.60E+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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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 9.00E+4n/an/an/an/an/an/a


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
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
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 9.00E+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 after 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sialidase 2


(Homo sapiens)
BDBM50428077
PNG
(CHEMBL2323562)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H18N2O5/c1-9(18)17-14-11(19)7-12(15(20)21)22-13(14)8-16-10-5-3-2-4-6-10/h2-7,11,13-14,16,19H,8H2,1H3,(H,17,18)(H,20,21)/t11-,13-,14+/m0/s1
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n/an/a 1.00E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50312649
PNG
(6-chloro-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroa...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H7ClO7/c16-11-8(18)3-6-10(14(11)21)13(20)9-5(12(6)19)1-4(15(22)23)2-7(9)17/h1-3,17-18,21H,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM26656
PNG
(5,7,3,4,5-pentahydroxyflavone | 5,7-dihydroxy-2-(3...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
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n/an/a 1.30E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM32021
PNG
(4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen...)
Show SMILES OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Show InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
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n/an/a 1.30E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a 1.30E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 1.30E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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 1.30E+5n/an/an/an/an/an/a


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50428073
PNG
(CHEMBL2325809)
Show SMILES CC(=O)N[C@H]1[C@H](CNc2ccccc2)OC(=C[C@@H]1N=[N+]=[N-])C(O)=O
Show InChI InChI=1S/C15H17N5O4/c1-9(21)18-14-11(19-20-16)7-12(15(22)23)24-13(14)8-17-10-5-3-2-4-6-10/h2-7,11,13-14,17H,8H2,1H3,(H,18,21)(H,22,23)/t11-,13-,14+/m0/s1
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n/an/a 1.31E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.50E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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PubMed
n/an/a 1.60E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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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PubMed
n/an/a 1.73E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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 2.40E+5n/an/an/an/an/an/a


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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 2.50E+5n/an/an/an/an/an/a


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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PubMed
n/an/a 3.80E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50077323
PNG
(7,4'-Dihydroxyflavone | 7-hydroxy-2-(4-hydroxyphen...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
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PubMed
n/an/a 4.70E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50295841
PNG
(4-Acetamido-5-(biphenyl-4-ylcarboxamido)-2-fluorob...)
Show SMILES CC(=O)Nc1cc(F)c(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H17FN2O4/c1-13(26)24-20-12-18(23)17(22(28)29)11-19(20)25-21(27)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)
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n/an/a 5.52E+5n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Inhibition of human NEU2 transiently transfected in HEK293 cells by fluorimetric analysis


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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PubMed
n/an/a 5.70E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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PubMed
n/an/a 7.60E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of 0.1% Triton X-100 by discontinuous fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
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
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 8.00E+5n/an/an/an/an/an/a


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens)
BDBM50428078
PNG
(CHEMBL2323561)
Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1CNc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H19N3O4/c1-9(19)18-14-11(16)7-12(15(20)21)22-13(14)8-17-10-5-3-2-4-6-10/h2-7,11,13-14,17H,8,16H2,1H3,(H,18,19)(H,20,21)/t11-,13-,14+/m0/s1
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PubMed
n/an/a 8.00E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair
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