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PubMed code 21489803

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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))		BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


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


(Homo sapiens (Human))		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))		BDBM50343689
PNG
((3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(O)=O |r,c:8|
Show InChI InChI=1S/C34H46N4O6/c1-5-23(6-2)44-29-17-21(32(41)42)16-28(31(29)35-19(3)39)38-18-30(36-37-38)34(43)14-12-27-26-9-7-20-15-22(40)8-10-24(20)25(26)11-13-33(27,34)4/h8,10,15-16,18,23,25-29,31,40,43H,5-7,9,11-14,17H2,1-4H3,(H,35,39)(H,41,42)/t25-,26-,27+,28+,29-,31-,33+,34-/m1/s1
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n/an/a 3.50E+5n/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))		BDBM50343690
PNG
((4R,5R)-4-acetamido-3-(4-(2-hydroxypropan-2-yl)-1H...)
Show SMILES CCC(CC)O[C@@H]1CC(C=C([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:9|
Show InChI InChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,12-13,15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t12?,15-,17-/m1/s1
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n/an/a 6.40E+5n/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-4


(Homo sapiens (Human))		BDBM50343689
PNG
((3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(O)=O |r,c:8|
Show InChI InChI=1S/C34H46N4O6/c1-5-23(6-2)44-29-17-21(32(41)42)16-28(31(29)35-19(3)39)38-18-30(36-37-38)34(43)14-12-27-26-9-7-20-15-22(40)8-10-24(20)25(26)11-13-33(27,34)4/h8,10,15-16,18,23,25-29,31,40,43H,5-7,9,11-14,17H2,1-4H3,(H,35,39)(H,41,42)/t25-,26-,27+,28+,29-,31-,33+,34-/m1/s1
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n/an/a 8.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


Article DOI: 10.1016/j.bmc.2011.03.039
BindingDB Entry DOI: 10.7270/Q2Z31ZZV
More data for this
Ligand-Target Pair
Sialidase-4


(Homo sapiens (Human))		BDBM50343690
PNG
((4R,5R)-4-acetamido-3-(4-(2-hydroxypropan-2-yl)-1H...)
Show SMILES CCC(CC)O[C@@H]1CC(C=C([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:9|
Show InChI InChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,12-13,15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t12?,15-,17-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


Article DOI: 10.1016/j.bmc.2011.03.039
BindingDB Entry DOI: 10.7270/Q2Z31ZZV
More data for this
Ligand-Target Pair
Sialidase-4


(Homo sapiens (Human))		BDBM50343681
PNG
((3S,4R,5R)-4-Acetamido-3-amino-5-(1-ethylpropoxy)c...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h6,10-13H,4-5,7,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


Article DOI: 10.1016/j.bmc.2011.03.039
BindingDB Entry DOI: 10.7270/Q2Z31ZZV
More data for this
Ligand-Target Pair
Sialidase-4


(Homo sapiens (Human))		BDBM50343685
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:8|
Show InChI InChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,13-15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t14-,15+,17+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


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


(Homo sapiens (Human))		BDBM50343684
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethyl-propoxy)-3-[4-(1...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:8|
Show InChI InChI=1S/C19H30N4O5/c1-5-13(6-2)28-17-9-12(19(26)27)8-15(18(17)20-11(4)24)23-10-14(21-22-23)16(25)7-3/h8,10,13,15-18,25H,5-7,9H2,1-4H3,(H,20,24)(H,26,27)/t15-,16?,17+,18+/m0/s1
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n/an/a>1.00E+6n/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))		BDBM50343688
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C1(O)CCCC1)C(O)=O |r,c:8|
Show InChI InChI=1S/C21H32N4O5/c1-4-15(5-2)30-17-11-14(20(27)28)10-16(19(17)22-13(3)26)25-12-18(23-24-25)21(29)8-6-7-9-21/h10,12,15-17,19,29H,4-9,11H2,1-3H3,(H,22,26)(H,27,28)/t16-,17+,19+/m0/s1
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n/an/a>1.00E+6n/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-4


(Homo sapiens (Human))		BDBM50343688
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C1(O)CCCC1)C(O)=O |r,c:8|
Show InChI InChI=1S/C21H32N4O5/c1-4-15(5-2)30-17-11-14(20(27)28)10-16(19(17)22-13(3)26)25-12-18(23-24-25)21(29)8-6-7-9-21/h10,12,15-17,19,29H,4-9,11H2,1-3H3,(H,22,26)(H,27,28)/t16-,17+,19+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


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


(Homo sapiens (Human))		BDBM50343686
PNG
((3S,4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phe...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:8|
Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,20-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t21-,22+,23+/m0/s1
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n/an/a>1.00E+6n/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-4


(Homo sapiens (Human))		BDBM50343683
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(3-...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCCO)nn1)C(O)=O |r,c:8|
Show InChI InChI=1S/C19H30N4O5/c1-4-15(5-2)28-17-10-13(19(26)27)9-16(18(17)20-12(3)25)23-11-14(21-22-23)7-6-8-24/h9,11,15-18,24H,4-8,10H2,1-3H3,(H,20,25)(H,26,27)/t16-,17+,18+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


Article DOI: 10.1016/j.bmc.2011.03.039
BindingDB Entry DOI: 10.7270/Q2Z31ZZV
More data for this
Ligand-Target Pair
Sialidase-4


(Homo sapiens (Human))		BDBM50343684
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethyl-propoxy)-3-[4-(1...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:8|
Show InChI InChI=1S/C19H30N4O5/c1-5-13(6-2)28-17-9-12(19(26)27)8-15(18(17)20-11(4)24)23-10-14(21-22-23)16(25)7-3/h8,10,13,15-18,25H,5-7,9H2,1-4H3,(H,20,24)(H,26,27)/t15-,16?,17+,18+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


Article DOI: 10.1016/j.bmc.2011.03.039
BindingDB Entry DOI: 10.7270/Q2Z31ZZV
More data for this
Ligand-Target Pair
Sialidase-4


(Homo sapiens (Human))		BDBM50343687
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C1(O)CCCCC1)C(O)=O |r,c:8|
Show InChI InChI=1S/C22H34N4O5/c1-4-16(5-2)31-18-12-15(21(28)29)11-17(20(18)23-14(3)27)26-13-19(24-25-26)22(30)9-7-6-8-10-22/h11,13,16-18,20,30H,4-10,12H2,1-3H3,(H,23,27)(H,28,29)/t17-,18+,20+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


Article DOI: 10.1016/j.bmc.2011.03.039
BindingDB Entry DOI: 10.7270/Q2Z31ZZV
More data for this
Ligand-Target Pair
Sialidase-4


(Homo sapiens (Human))		BDBM50343680
PNG
((4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phenet...)
Show SMILES CCC(CC)O[C@@H]1CC(C=C([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:9|
Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,18,20,22-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t18?,22-,23-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


Article DOI: 10.1016/j.bmc.2011.03.039
BindingDB Entry DOI: 10.7270/Q2Z31ZZV
More data for this
Ligand-Target Pair
Sialidase-4


(Homo sapiens (Human))		BDBM50343682
PNG
(((1S,5R,6R)-6-acetamido-3-carboxy-5-(pentan-3-ylox...)
Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8|
Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6,10-13H,4-5,7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


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


(Homo sapiens (Human))		BDBM50343687
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C1(O)CCCCC1)C(O)=O |r,c:8|
Show InChI InChI=1S/C22H34N4O5/c1-4-16(5-2)31-18-12-15(21(28)29)11-17(20(18)23-14(3)27)26-13-19(24-25-26)22(30)9-7-6-8-10-22/h11,13,16-18,20,30H,4-10,12H2,1-3H3,(H,23,27)(H,28,29)/t17-,18+,20+/m0/s1
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n/an/a>1.00E+6n/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))		BDBM50343680
PNG
((4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phenet...)
Show SMILES CCC(CC)O[C@@H]1CC(C=C([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:9|
Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,18,20,22-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t18?,22-,23-/m1/s1
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n/an/a>1.00E+6n/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-4


(Homo sapiens (Human))		BDBM50343686
PNG
((3S,4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phe...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:8|
Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,20-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t21-,22+,23+/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


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

Bioorg Med Chem 19: 2817-22 (2011)


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


(Homo sapiens (Human))		BDBM50343681
PNG
((3S,4R,5R)-4-Acetamido-3-amino-5-(1-ethylpropoxy)c...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h6,10-13H,4-5,7,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a>1.00E+6n/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))		BDBM50343685
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:8|
Show InChI InChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,13-15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t14-,15+,17+/m0/s1
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n/an/a>1.00E+6n/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))		BDBM50343682
PNG
(((1S,5R,6R)-6-acetamido-3-carboxy-5-(pentan-3-ylox...)
Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8|
Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6,10-13H,4-5,7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1
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n/an/a>1.00E+6n/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))		BDBM50343683
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(3-...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCCO)nn1)C(O)=O |r,c:8|
Show InChI InChI=1S/C19H30N4O5/c1-4-15(5-2)28-17-10-13(19(26)27)9-16(18(17)20-12(3)25)23-11-14(21-22-23)7-6-8-24/h9,11,15-18,24H,4-8,10H2,1-3H3,(H,20,25)(H,26,27)/t16-,17+,18+/m0/s1
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n/an/a>1.00E+6n/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
* indicates data uncertainty>20%