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Compile Data Set for Download or QSAR

Found 68 hits with Last Name = 'shang' and Initial = 'm'   
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
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM4994
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
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/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		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 12n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM4994
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
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/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		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 21n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526911
PNG
(CHEMBL4468358)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33BrN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526911
PNG
(CHEMBL4468358)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33BrN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526926
PNG
(CHEMBL4516144)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Cl)nn1 |r,c:7|
Show InChI InChI=1S/C24H33ClN6O3/c1-4-19(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-18-14-31(30-29-18)13-16-8-6-7-9-20(16)25/h6-9,11,14,19,21-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526922
PNG
(CHEMBL4463508)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CCc2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C25H36N6O3/c1-4-21(5-2)34-23-14-19(13-22(26)24(23)28-17(3)32)25(33)27-15-20-16-31(30-29-20)12-11-18-9-7-6-8-10-18/h6-10,14,16,21-24H,4-5,11-13,15,26H2,1-3H3,(H,27,33)(H,28,32)/t22-,23+,24+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526916
PNG
(CHEMBL4438272)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCOCC2)nn1 |r,c:7|
Show InChI InChI=1S/C23H37N7O5/c1-4-18(5-2)35-20-11-16(10-19(24)22(20)26-15(3)31)23(33)25-12-17-13-30(28-27-17)14-21(32)29-6-8-34-9-7-29/h11,13,18-20,22H,4-10,12,14,24H2,1-3H3,(H,25,33)(H,26,31)/t19-,20+,22+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526898
PNG
(CHEMBL4532651)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7|
Show InChI InChI=1S/C27H40N8O7/c1-5-18(6-2)41-21-8-16(7-19(28)24(21)30-15(4)37)26(39)29-10-17-12-35(33-32-17)20-9-23(42-22(20)13-36)34-11-14(3)25(38)31-27(34)40/h8,11-12,18-24,36H,5-7,9-10,13,28H2,1-4H3,(H,29,39)(H,30,37)(H,31,38,40)/t19-,20-,21+,22+,23+,24+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526924
PNG
(CHEMBL4553522)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C)(C)c1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7|
Show InChI InChI=1S/C29H44N8O7/c1-7-18(8-2)43-21-10-17(9-19(30)25(21)31-16(4)39)27(41)33-29(5,6)23-13-37(35-34-23)20-11-24(44-22(20)14-38)36-12-15(3)26(40)32-28(36)42/h10,12-13,18-22,24-25,38H,7-9,11,14,30H2,1-6H3,(H,31,39)(H,33,41)(H,32,40,42)/t19-,20-,21+,22+,24+,25+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526926
PNG
(CHEMBL4516144)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Cl)nn1 |r,c:7|
Show InChI InChI=1S/C24H33ClN6O3/c1-4-19(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-18-14-31(30-29-18)13-16-8-6-7-9-20(16)25/h6-9,11,14,19,21-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526924
PNG
(CHEMBL4553522)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C)(C)c1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7|
Show InChI InChI=1S/C29H44N8O7/c1-7-18(8-2)43-21-10-17(9-19(30)25(21)31-16(4)39)27(41)33-29(5,6)23-13-37(35-34-23)20-11-24(44-22(20)14-38)36-12-15(3)26(40)32-28(36)42/h10,12-13,18-22,24-25,38H,7-9,11,14,30H2,1-6H3,(H,31,39)(H,33,41)(H,32,40,42)/t19-,20-,21+,22+,24+,25+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526916
PNG
(CHEMBL4438272)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCOCC2)nn1 |r,c:7|
Show InChI InChI=1S/C23H37N7O5/c1-4-18(5-2)35-20-11-16(10-19(24)22(20)26-15(3)31)23(33)25-12-17-13-30(28-27-17)14-21(32)29-6-8-34-9-7-29/h11,13,18-20,22H,4-10,12,14,24H2,1-3H3,(H,25,33)(H,26,31)/t19-,20+,22+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526903
PNG
(CHEMBL4470325)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(c2)[N+]([O-])=O)nn1 |r,c:7|
Show InChI InChI=1S/C24H33N7O5/c1-4-20(5-2)36-22-11-17(10-21(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-7-6-8-19(9-16)31(34)35/h6-9,11,14,20-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t21-,22+,23+/m0/s1
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Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526910
PNG
(CHEMBL4445939)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Br)nn1 |r,c:7|
Show InChI InChI=1S/C24H33BrN6O3/c1-4-19(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-18-14-31(30-29-18)13-16-8-6-7-9-20(16)25/h6-9,11,14,19,21-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526912
PNG
(CHEMBL4444018)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H34N6O3/c1-4-20(5-2)33-22-12-18(11-21(25)23(22)27-16(3)31)24(32)26-13-19-15-30(29-28-19)14-17-9-7-6-8-10-17/h6-10,12,15,20-23H,4-5,11,13-14,25H2,1-3H3,(H,26,32)(H,27,31)/t21-,22+,23+/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526898
PNG
(CHEMBL4532651)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7|
Show InChI InChI=1S/C27H40N8O7/c1-5-18(6-2)41-21-8-16(7-19(28)24(21)30-15(4)37)26(39)29-10-17-12-35(33-32-17)20-9-23(42-22(20)13-36)34-11-14(3)25(38)31-27(34)40/h8,11-12,18-24,36H,5-7,9-10,13,28H2,1-4H3,(H,29,39)(H,30,37)(H,31,38,40)/t19-,20-,21+,22+,23+,24+/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526905
PNG
(CHEMBL4462524)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCCC2)nn1 |r,c:7|
Show InChI InChI=1S/C23H37N7O4/c1-4-18(5-2)34-20-11-16(10-19(24)22(20)26-15(3)31)23(33)25-12-17-13-30(28-27-17)14-21(32)29-8-6-7-9-29/h11,13,18-20,22H,4-10,12,14,24H2,1-3H3,(H,25,33)(H,26,31)/t19-,20+,22+/m0/s1
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n/an/a 780n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526900
PNG
(CHEMBL4452996)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)c(F)c2)nn1 |r,c:7|
Show InChI InChI=1S/C24H32ClFN6O3/c1-4-18(5-2)35-22-10-16(9-21(27)23(22)29-14(3)33)24(34)28-11-17-13-32(31-30-17)12-15-6-7-19(25)20(26)8-15/h6-8,10,13,18,21-23H,4-5,9,11-12,27H2,1-3H3,(H,28,34)(H,29,33)/t21-,22+,23+/m0/s1
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n/an/a 820n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526907
PNG
(CHEMBL4565515)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1 |r,c:7|
Show InChI InChI=1S/C24H33N7O5/c1-4-20(5-2)36-22-11-17(10-21(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-6-8-19(9-7-16)31(34)35/h6-9,11,14,20-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t21-,22+,23+/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526919
PNG
(CHEMBL4467055)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2[N+]([O-])=O)nn1 |r,c:7|
Show InChI InChI=1S/C24H33N7O5/c1-4-19(5-2)36-22-11-17(10-20(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-8-6-7-9-21(16)31(34)35/h6-9,11,14,19-20,22-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t20-,22+,23+/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526909
PNG
(CHEMBL4576390)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(Cl)c2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33ClN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-7-6-8-18(25)9-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526907
PNG
(CHEMBL4565515)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1 |r,c:7|
Show InChI InChI=1S/C24H33N7O5/c1-4-20(5-2)36-22-11-17(10-21(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-6-8-19(9-7-16)31(34)35/h6-9,11,14,20-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t21-,22+,23+/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526899
PNG
(CHEMBL4543946)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(F)c2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33FN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-7-6-8-18(25)9-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526923
PNG
(CHEMBL4457412)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)-c2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C30H38N6O3/c1-4-26(5-2)39-28-16-24(15-27(31)29(28)33-20(3)37)30(38)32-17-25-19-36(35-34-25)18-21-11-13-23(14-12-21)22-9-7-6-8-10-22/h6-14,16,19,26-29H,4-5,15,17-18,31H2,1-3H3,(H,32,38)(H,33,37)/t27-,28+,29+/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526903
PNG
(CHEMBL4470325)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(c2)[N+]([O-])=O)nn1 |r,c:7|
Show InChI InChI=1S/C24H33N7O5/c1-4-20(5-2)36-22-11-17(10-21(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-7-6-8-19(9-16)31(34)35/h6-9,11,14,20-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t21-,22+,23+/m0/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526895
PNG
(CHEMBL4570966)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33ClN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 1.27E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526923
PNG
(CHEMBL4457412)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)-c2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C30H38N6O3/c1-4-26(5-2)39-28-16-24(15-27(31)29(28)33-20(3)37)30(38)32-17-25-19-36(35-34-25)18-21-11-13-23(14-12-21)22-9-7-6-8-10-22/h6-14,16,19,26-29H,4-5,15,17-18,31H2,1-3H3,(H,32,38)(H,33,37)/t27-,28+,29+/m0/s1
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n/an/a 1.41E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526900
PNG
(CHEMBL4452996)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)c(F)c2)nn1 |r,c:7|
Show InChI InChI=1S/C24H32ClFN6O3/c1-4-18(5-2)35-22-10-16(9-21(27)23(22)29-14(3)33)24(34)28-11-17-13-32(31-30-17)12-15-6-7-19(25)20(26)8-15/h6-8,10,13,18,21-23H,4-5,9,11-12,27H2,1-3H3,(H,28,34)(H,29,33)/t21-,22+,23+/m0/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526915
PNG
(CHEMBL4460766)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(nn1)C1CCCCC1 |r,c:7|
Show InChI InChI=1S/C23H38N6O3/c1-4-19(5-2)32-21-12-16(11-20(24)22(21)26-15(3)30)23(31)25-13-17-14-29(28-27-17)18-9-7-6-8-10-18/h12,14,18-22H,4-11,13,24H2,1-3H3,(H,25,31)(H,26,30)/t20-,21+,22+/m0/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526920
PNG
(CHEMBL4439611)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2F)nn1 |r,c:7|
Show InChI InChI=1S/C24H33FN6O3/c1-4-19(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-18-14-31(30-29-18)13-16-8-6-7-9-20(16)25/h6-9,11,14,19,21-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526915
PNG
(CHEMBL4460766)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(nn1)C1CCCCC1 |r,c:7|
Show InChI InChI=1S/C23H38N6O3/c1-4-19(5-2)32-21-12-16(11-20(24)22(21)26-15(3)30)23(31)25-13-17-14-29(28-27-17)18-9-7-6-8-10-18/h12,14,18-22H,4-11,13,24H2,1-3H3,(H,25,31)(H,26,30)/t20-,21+,22+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526905
PNG
(CHEMBL4462524)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCCC2)nn1 |r,c:7|
Show InChI InChI=1S/C23H37N7O4/c1-4-18(5-2)34-20-11-16(10-19(24)22(20)26-15(3)31)23(33)25-12-17-13-30(28-27-17)14-21(32)29-8-6-7-9-29/h11,13,18-20,22H,4-10,12,14,24H2,1-3H3,(H,25,33)(H,26,31)/t19-,20+,22+/m0/s1
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n/an/a 1.89E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526913
PNG
(CHEMBL4456723)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)C#N)nn1 |r,c:7|
Show InChI InChI=1S/C25H33N7O3/c1-4-21(5-2)35-23-11-19(10-22(27)24(23)29-16(3)33)25(34)28-13-20-15-32(31-30-20)14-18-8-6-17(12-26)7-9-18/h6-9,11,15,21-24H,4-5,10,13-14,27H2,1-3H3,(H,28,34)(H,29,33)/t22-,23+,24+/m0/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526908
PNG
(CHEMBL4552973)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33FN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526908
PNG
(CHEMBL4552973)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33FN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 2.11E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526904
PNG
(CHEMBL4591238)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2Cl)nn1 |r,c:7|
Show InChI InChI=1S/C24H32ClFN6O3/c1-4-19(5-2)35-22-9-16(8-21(27)23(22)29-14(3)33)24(34)28-11-18-13-32(31-30-18)12-15-6-7-17(26)10-20(15)25/h6-7,9-10,13,19,21-23H,4-5,8,11-12,27H2,1-3H3,(H,28,34)(H,29,33)/t21-,22+,23+/m0/s1
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n/an/a 2.14E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526896
PNG
(CHEMBL4462358)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(C)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C25H36N6O3/c1-5-21(6-2)34-23-12-19(11-22(26)24(23)28-17(4)32)25(33)27-13-20-15-31(30-29-20)14-18-9-7-16(3)8-10-18/h7-10,12,15,21-24H,5-6,11,13-14,26H2,1-4H3,(H,27,33)(H,28,32)/t22-,23+,24+/m0/s1
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n/an/a 2.18E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526899
PNG
(CHEMBL4543946)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(F)c2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33FN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-7-6-8-18(25)9-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526910
PNG
(CHEMBL4445939)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Br)nn1 |r,c:7|
Show InChI InChI=1S/C24H33BrN6O3/c1-4-19(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-18-14-31(30-29-18)13-16-8-6-7-9-20(16)25/h6-9,11,14,19,21-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 2.29E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526921
PNG
(CHEMBL4447544)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(Br)c2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33BrN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-7-6-8-18(25)9-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526904
PNG
(CHEMBL4591238)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2Cl)nn1 |r,c:7|
Show InChI InChI=1S/C24H32ClFN6O3/c1-4-19(5-2)35-22-9-16(8-21(27)23(22)29-14(3)33)24(34)28-11-18-13-32(31-30-18)12-15-6-7-17(26)10-20(15)25/h6-7,9-10,13,19,21-23H,4-5,8,11-12,27H2,1-3H3,(H,28,34)(H,29,33)/t21-,22+,23+/m0/s1
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n/an/a 2.42E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526912
PNG
(CHEMBL4444018)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H34N6O3/c1-4-20(5-2)33-22-12-18(11-21(25)23(22)27-16(3)31)24(32)26-13-19-15-30(29-28-19)14-17-9-7-6-8-10-17/h6-10,12,15,20-23H,4-5,11,13-14,25H2,1-3H3,(H,26,32)(H,27,31)/t21-,22+,23+/m0/s1
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n/an/a 2.45E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526913
PNG
(CHEMBL4456723)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)C#N)nn1 |r,c:7|
Show InChI InChI=1S/C25H33N7O3/c1-4-21(5-2)35-23-11-19(10-22(27)24(23)29-16(3)33)25(34)28-13-20-15-32(31-30-20)14-18-8-6-17(12-26)7-9-18/h6-9,11,15,21-24H,4-5,10,13-14,27H2,1-3H3,(H,28,34)(H,29,33)/t22-,23+,24+/m0/s1
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n/an/a 2.72E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526914
PNG
(CHEMBL4455147)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc3ccccc3c2)nn1 |r,c:7|
Show InChI InChI=1S/C28H36N6O3/c1-4-24(5-2)37-26-14-22(13-25(29)27(26)31-18(3)35)28(36)30-15-23-17-34(33-32-23)16-19-10-11-20-8-6-7-9-21(20)12-19/h6-12,14,17,24-27H,4-5,13,15-16,29H2,1-3H3,(H,30,36)(H,31,35)/t25-,26+,27+/m0/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526914
PNG
(CHEMBL4455147)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc3ccccc3c2)nn1 |r,c:7|
Show InChI InChI=1S/C28H36N6O3/c1-4-24(5-2)37-26-14-22(13-25(29)27(26)31-18(3)35)28(36)30-15-23-17-34(33-32-23)16-19-10-11-20-8-6-7-9-21(20)12-19/h6-12,14,17,24-27H,4-5,13,15-16,29H2,1-3H3,(H,30,36)(H,31,35)/t25-,26+,27+/m0/s1
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n/an/a 3.12E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526901
PNG
(CHEMBL4460594)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CSc2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H34N6O3S/c1-4-19(5-2)33-22-12-17(11-21(25)23(22)27-16(3)31)24(32)26-13-18-14-30(29-28-18)15-34-20-9-7-6-8-10-20/h6-10,12,14,19,21-23H,4-5,11,13,15,25H2,1-3H3,(H,26,32)(H,27,31)/t21-,22+,23+/m0/s1
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n/an/a 3.17E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50526895
PNG
(CHEMBL4570966)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33ClN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.17E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))		BDBM50526901
PNG
(CHEMBL4460594)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CSc2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H34N6O3S/c1-4-19(5-2)33-22-12-17(11-21(25)23(22)27-16(3)31)24(32)26-13-18-14-30(29-28-18)15-34-20-9-7-6-8-10-20/h6-10,12,14,19,21-23H,4-5,11,13,15,25H2,1-3H3,(H,26,32)(H,27,31)/t21-,22+,23+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.44E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...

Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
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