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BDBM50182216 CHEMBL3819510

SMILES: OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC

InChI Key: InChIKey=XKZSLMACJIRKQZ-JHYUHGIGSA-N

Data: 21 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50182216   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/394/2005(H5N3)) neuraminidase N3 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins foll...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 109n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/28/2005(H6N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 538n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/Chiba/13/06(H12N5) neuraminidase N5 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed b...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Shiga/8/2004(H4N6)) neuraminidase N6 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 724n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/700/2007(H7N7)) neuraminidase N7 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins foll...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 5.25E+3n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/28/2006(H3N8)) neuraminidase N8 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 697n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/Tsukuba/441/05(H11N9) neuraminidase N9 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followe...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 752n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/04/2009(H1N1)) neuraminidase N1 V149I mutant activity using 4MU-Neu5Ac as substrate preincubated for 15...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 830n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Narita/1/2009(H1N1)) neuraminidase N1 V149I mutant activity using 4MU-Neu5Ac as substrate preincubated for 15 mins...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 213n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Yamaguchi/20/06(H1N1) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by ...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 670n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Kitakyushu/10/06(H1N1) neuraminidase N1 H274Y mutant activity using 4MU-Neu5Ac as substrate preincubated for 15 min...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 311n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Aichi/75/2008(H3N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by ...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 460n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Aichi/102/2008(H3N2)) neuraminidase N2 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins followed by...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Sialidase 1


(Homo sapiens (Human))
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a>7.00E+5n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of human Neu1 expressed in HEK293T cells using 4MU-Neu5Ac as substrate incubated for 30 mins by HPLC analysis


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Sialidase 2


(Homo sapiens (Human))
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a>1.00E+6n/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)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Sialidase 3


(Homo sapiens (Human))
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


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


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a>7.00E+5n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of human Neu4 expressed in HEK293T cells using 4MU-Neu5Ac as substrate incubated for 30 mins by HPLC analysis


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Sialidase 4


(Homo sapiens (Human))
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a>7.00E+5n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of human Neu4 expressed in HEK293T cells using GM3 as substrate incubated for 30 mins by HPLC analysis


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 378n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/67/2005(H1N1)) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 759n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/mallard/Hokkaido/24/2009(H5N1)) neuraminidase N1 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins f...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50182216
PNG
(CHEMBL3819510)
Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCC |r,c:9|
Show InChI InChI=1S/C17H29N5O7.C2HF3O2/c1-3-4-5-12(25)20-7-10(24)14(26)15-13(21-8(2)23)9(22-17(18)19)6-11(29-15)16(27)28;3-2(4,5)1(6)7/h6,9-10,13-15,24,26H,3-5,7H2,1-2H3,(H,20,25)(H,21,23)(H,27,28)(H4,18,19,22);(H,6,7)/t9-,10+,13+,14+,15+;/m0./s1
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n/an/a 826n/an/an/an/an/an/a



Thammasat University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Tsukuba/20/2007(H8N4)) neuraminidase N4 activity using 4MU-Neu5Ac as substrate preincubated for 15 mins follo...


J Med Chem 59: 4563-77 (2016)


BindingDB Entry DOI: 10.7270/Q2QN68QP
More data for this
Ligand-Target Pair