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PubMed code 24836064

Compile data set for download or QSAR
Found 7 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
Neuraminidase


(Influenza A virus)		BDBM50016375
PNG
(CHEMBL3263939)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1c[nH]c2ccccc12 |r,c:7|
Show InChI InChI=1S/C24H36N3O5P/c1-4-18(5-2)32-23-14-19(13-21(25)24(23)27-16(3)28)33(29,30)31-12-8-9-17-15-26-22-11-7-6-10-20(17)22/h6-7,10-11,14-15,18,21,23-24,26H,4-5,8-9,12-13,25H2,1-3H3,(H,27,28)(H,29,30)/t21-,23+,24+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...

Eur J Med Chem 81: 106-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.082
BindingDB Entry DOI: 10.7270/Q2R49SB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50016374
PNG
(CHEMBL3263938)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1ccccc1 |r,c:7|
Show InChI InChI=1S/C22H35N2O5P/c1-4-18(5-2)29-21-15-19(14-20(23)22(21)24-16(3)25)30(26,27)28-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15,18,20-22H,4-5,9,12-14,23H2,1-3H3,(H,24,25)(H,26,27)/t20-,21+,22+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...

Eur J Med Chem 81: 106-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.082
BindingDB Entry DOI: 10.7270/Q2R49SB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50016373
PNG
(CHEMBL3263937)
Show SMILES CCCCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:10|
Show InChI InChI=1S/C19H37N2O5P/c1-5-8-9-10-11-25-27(23,24)16-12-17(20)19(21-14(4)22)18(13-16)26-15(6-2)7-3/h13,15,17-19H,5-12,20H2,1-4H3,(H,21,22)(H,23,24)/t17-,18+,19+/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...

Eur J Med Chem 81: 106-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.082
BindingDB Entry DOI: 10.7270/Q2R49SB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50016378
PNG
(CHEMBL3263942)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)P(O)(=O)OCCCc1ccccc1 |r,c:7|
Show InChI InChI=1S/C23H37N4O5P/c1-4-18(5-2)32-21-15-19(14-20(27-23(24)25)22(21)26-16(3)28)33(29,30)31-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15,18,20-22H,4-5,9,12-14H2,1-3H3,(H,26,28)(H,29,30)(H4,24,25,27)/t20-,21+,22+/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...

Eur J Med Chem 81: 106-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.082
BindingDB Entry DOI: 10.7270/Q2R49SB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50016377
PNG
(CHEMBL3263941)
Show SMILES CCCCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:10|
Show InChI InChI=1S/C20H39N4O5P/c1-5-8-9-10-11-28-30(26,27)16-12-17(24-20(21)22)19(23-14(4)25)18(13-16)29-15(6-2)7-3/h13,15,17-19H,5-12H2,1-4H3,(H,23,25)(H,26,27)(H4,21,22,24)/t17-,18+,19+/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...

Eur J Med Chem 81: 106-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.082
BindingDB Entry DOI: 10.7270/Q2R49SB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50016376
PNG
(CHEMBL3263940)
Show SMILES CCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:8|
Show InChI InChI=1S/C18H35N4O5P/c1-5-8-9-26-28(24,25)14-10-15(22-18(19)20)17(21-12(4)23)16(11-14)27-13(6-2)7-3/h11,13,15-17H,5-10H2,1-4H3,(H,21,23)(H,24,25)(H4,19,20,22)/t15-,16+,17+/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...

Eur J Med Chem 81: 106-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.082
BindingDB Entry DOI: 10.7270/Q2R49SB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50016372
PNG
(CHEMBL3263936)
Show SMILES CCCCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:8|
Show InChI InChI=1S/C17H33N2O5P/c1-5-8-9-23-25(21,22)14-10-15(18)17(19-12(4)20)16(11-14)24-13(6-2)7-3/h11,13,15-17H,5-10,18H2,1-4H3,(H,19,20)(H,21,22)/t15-,16+,17+/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase in wild type Influenza A virus (A/WSN/1933(H1N1)) infected in allantoic fluid of embryonated chicken egg using MUNANA as ...

Eur J Med Chem 81: 106-18 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.082
BindingDB Entry DOI: 10.7270/Q2R49SB7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%