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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'sweeny' and Initial = 'dj'   
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
PTAFR


(RAT)
BDBM50286012
PNG
(3-{(R)-7-[1-Dimethylcarbamoyl-6-(4-fluoro-phenyl)-...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@H](SCc23)c2ccc[n+]([O-])c2)c2ccc(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23FN4O3S/c1-31(2)29(36)34-16-24(22-10-7-19(14-25(22)34)18-5-8-21(30)9-6-18)27(35)23-11-13-33-26(23)17-38-28(33)20-4-3-12-32(37)15-20/h3-16,28H,17H2,1-2H3/t28-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor(PAF) by binding to PAF receptor


Bioorg Med Chem Lett 5: 2909-2912 (1995)


Article DOI: 10.1016/0960-894X(95)00510-Z
BindingDB Entry DOI: 10.7270/Q2S46RXM
More data for this
Ligand-Target Pair
PTAFR


(RAT)
BDBM50035397
PNG
(6-(4-Fluoro-phenyl)-3-((R)-3-pyridin-3-yl-1H-pyrro...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@H](SCc23)c2cccnc2)c2ccc(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23FN4O2S/c1-32(2)29(36)34-16-24(22-10-7-19(14-25(22)34)18-5-8-21(30)9-6-18)27(35)23-11-13-33-26(23)17-37-28(33)20-4-3-12-31-15-20/h3-16,28H,17H2,1-2H3/t28-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor (PAF) by binding to PAF receptor


Bioorg Med Chem Lett 5: 2909-2912 (1995)


Article DOI: 10.1016/0960-894X(95)00510-Z
BindingDB Entry DOI: 10.7270/Q2S46RXM
More data for this
Ligand-Target Pair
PTAFR


(RAT)
BDBM50286013
PNG
((cis)-(2S,3R)-7-[1-Dimethylcarbamoyl-6-(4-fluoro-p...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@@H](c4cccnc4)S(=O)Cc23)c2ccc(cc12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H23FN4O3S/c1-32(2)29(36)34-16-24(22-10-7-19(14-25(22)34)18-5-8-21(30)9-6-18)27(35)23-11-13-33-26(23)17-38(37)28(33)20-4-3-12-31-15-20/h3-16,28H,17H2,1-2H3/t28-,38?/m1/s1
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8.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor(PAF) by binding to PAF receptor


Bioorg Med Chem Lett 5: 2909-2912 (1995)


Article DOI: 10.1016/0960-894X(95)00510-Z
BindingDB Entry DOI: 10.7270/Q2S46RXM
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(RAT)
BDBM50286013
PNG
((cis)-(2S,3R)-7-[1-Dimethylcarbamoyl-6-(4-fluoro-p...)
Show SMILES CN(C)C(=O)n1cc(C(=O)c2ccn3[C@@H](c4cccnc4)S(=O)Cc23)c2ccc(cc12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H23FN4O3S/c1-32(2)29(36)34-16-24(22-10-7-19(14-25(22)34)18-5-8-21(30)9-6-18)27(35)23-11-13-33-26(23)17-38(37)28(33)20-4-3-12-31-15-20/h3-16,28H,17H2,1-2H3/t28-,38?/m1/s1
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68n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet activating factor(PAF) by binding to PAF receptor


Bioorg Med Chem Lett 5: 2909-2912 (1995)


Article DOI: 10.1016/0960-894X(95)00510-Z
BindingDB Entry DOI: 10.7270/Q2S46RXM
More data for this
Ligand-Target Pair
Neuraminidase A


(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 1n/an/an/an/a6.537



Gilead Sciences Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


Bioorg Med Chem Lett 9: 2811-4 (1999)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
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 4n/an/an/an/a6.537



Gilead Sciences Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


Bioorg Med Chem Lett 9: 2811-4 (1999)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM5248
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-{[(3R)-1-hydroxyp...)
Show SMILES [H][C@@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
Show InChI InChI=1S/C14H24N2O5/c1-3-10(4-5-17)21-12-7-9(14(19)20)6-11(15)13(12)16-8(2)18/h7,10-13,17H,3-6,15H2,1-2H3,(H,16,18)(H,19,20)/t10-,11+,12-,13-/m1/s1
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n/an/a 30n/an/an/an/a6.537



Gilead Sciences Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


Bioorg Med Chem Lett 9: 2811-4 (1999)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM5249
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-{[(3S)-1-hydroxyp...)
Show SMILES [H][C@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
Show InChI InChI=1S/C14H24N2O5/c1-3-10(4-5-17)21-12-7-9(14(19)20)6-11(15)13(12)16-8(2)18/h7,10-13,17H,3-6,15H2,1-2H3,(H,16,18)(H,19,20)/t10-,11-,12+,13+/m0/s1
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n/an/a 40n/an/an/an/a6.537



Gilead Sciences Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


Bioorg Med Chem Lett 9: 2811-4 (1999)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5248
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-{[(3R)-1-hydroxyp...)
Show SMILES [H][C@@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
Show InChI InChI=1S/C14H24N2O5/c1-3-10(4-5-17)21-12-7-9(14(19)20)6-11(15)13(12)16-8(2)18/h7,10-13,17H,3-6,15H2,1-2H3,(H,16,18)(H,19,20)/t10-,11+,12-,13-/m1/s1
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n/an/a 85n/an/an/an/a6.537



Gilead Sciences Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


Bioorg Med Chem Lett 9: 2811-4 (1999)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5249
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-{[(3S)-1-hydroxyp...)
Show SMILES [H][C@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
Show InChI InChI=1S/C14H24N2O5/c1-3-10(4-5-17)21-12-7-9(14(19)20)6-11(15)13(12)16-8(2)18/h7,10-13,17H,3-6,15H2,1-2H3,(H,16,18)(H,19,20)/t10-,11-,12+,13+/m0/s1
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n/an/a 400n/an/an/an/a6.537



Gilead Sciences Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


Bioorg Med Chem Lett 9: 2811-4 (1999)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM5246
PNG
((3R,4R,5S)-5-amino-3-{[(2R)-1-carboxybutan-2-yl]ox...)
Show SMILES [H][C@@](CC)(CC(O)=O)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
Show InChI InChI=1S/C14H22N2O6/c1-3-9(6-12(18)19)22-11-5-8(14(20)21)4-10(15)13(11)16-7(2)17/h5,9-11,13H,3-4,6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t9-,10+,11-,13-/m1/s1
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n/an/a 450n/an/an/an/a6.537



Gilead Sciences Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


Bioorg Med Chem Lett 9: 2811-4 (1999)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM5247
PNG
((3R,4R,5S)-5-amino-3-{[(2S)-1-carboxybutan-2-yl]ox...)
Show SMILES [H][C@](CC)(CC(O)=O)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
Show InChI InChI=1S/C14H22N2O6/c1-3-9(6-12(18)19)22-11-5-8(14(20)21)4-10(15)13(11)16-7(2)17/h5,9-11,13H,3-4,6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t9-,10-,11+,13+/m0/s1
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n/an/a 1.15E+3n/an/an/an/a6.537



Gilead Sciences Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


Bioorg Med Chem Lett 9: 2811-4 (1999)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair