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PubMed code 27923497

Compile data set for download or QSAR
Found 38 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
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 36n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222028
PNG
(1-((5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)methyl...)
Show SMILES Clc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20ClN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222036
PNG
(2-(Morpholinomethyl)-1-((5-o-tolyl-1,3,4-oxadiazol...)
Show SMILES Cc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C22H23N5O2/c1-16-6-2-3-7-17(16)22-25-24-21(29-22)15-27-19-9-5-4-8-18(19)23-20(27)14-26-10-12-28-13-11-26/h2-9H,10-15H2,1H3
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n/an/a 1.14E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222038
PNG
(1-((5-(2-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)methy...)
Show SMILES COc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C22H23N5O3/c1-28-19-9-5-2-6-16(19)22-25-24-21(30-22)15-27-18-8-4-3-7-17(18)23-20(27)14-26-10-12-29-13-11-26/h2-9H,10-15H2,1H3
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n/an/a 1.37E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.44E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222033
PNG
(2-(Morpholinomethyl)-1-((5-(4-nitrophenyl)-1,3,4-o...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20N6O4/c28-27(29)16-7-5-15(6-8-16)21-24-23-20(31-21)14-26-18-4-2-1-3-17(18)22-19(26)13-25-9-11-30-12-10-25/h1-8H,9-14H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222029
PNG
(1-((5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)methyl...)
Show SMILES Clc1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20ClN5O2/c22-16-7-5-15(6-8-16)21-25-24-20(29-21)14-27-18-4-2-1-3-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
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n/an/a 3.09E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222032
PNG
(2-(Morpholinomethyl)-1-((5-(2-nitrophenyl)-1,3,4-o...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20N6O4/c28-27(29)17-7-3-1-5-15(17)21-24-23-20(31-21)14-26-18-8-4-2-6-16(18)22-19(26)13-25-9-11-30-12-10-25/h1-8H,9-14H2
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n/an/a 3.62E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222030
PNG
(1-((5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl)methyl...)
Show SMILES Fc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20FN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
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n/an/a 4.00E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222027
PNG
(2-(Morpholinomethyl)-1-((5-phenyl-1,3,4-oxadiazol-...)
Show SMILES C(N1CCOCC1)c1nc2ccccc2n1Cc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O2/c1-2-6-16(7-3-1)21-24-23-20(28-21)15-26-18-9-5-4-8-17(18)22-19(26)14-25-10-12-27-13-11-25/h1-9H,10-15H2
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n/an/a 4.63E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222023
PNG
(1-((5-Ethyl-1,3,4-oxadiazol-2-yl)methyl)-2-(morpho...)
Show SMILES CCc1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C17H21N5O2/c1-2-16-19-20-17(24-16)12-22-14-6-4-3-5-13(14)18-15(22)11-21-7-9-23-10-8-21/h3-6H,2,7-12H2,1H3
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n/an/a 5.06E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222037
PNG
(2-(Morpholinomethyl)-1-((5-p-tolyl-1,3,4-oxadiazol...)
Show SMILES Cc1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C22H23N5O2/c1-16-6-8-17(9-7-16)22-25-24-21(29-22)15-27-19-5-3-2-4-18(19)23-20(27)14-26-10-12-28-13-11-26/h2-9H,10-15H2,1H3
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n/an/a 5.06E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222031
PNG
(1-((5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)methyl...)
Show SMILES Fc1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20FN5O2/c22-16-7-5-15(6-8-16)21-25-24-20(29-21)14-27-18-4-2-1-3-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
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n/an/a 5.36E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222030
PNG
(1-((5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl)methyl...)
Show SMILES Fc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20FN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
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n/an/a 5.55E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222035
PNG
(4-(5-((2-(Morpholinomethyl)-1H-benzimidazol-1-yl)m...)
Show SMILES Oc1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H21N5O3/c27-16-7-5-15(6-8-16)21-24-23-20(29-21)14-26-18-4-2-1-3-17(18)22-19(26)13-25-9-11-28-12-10-25/h1-8,27H,9-14H2
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n/an/a 6.44E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222024
PNG
(1-((5-(Chloromethyl)-1,3,4-oxadiazol-2-yl)methyl)-...)
Show SMILES ClCc1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C16H18ClN5O2/c17-9-15-19-20-16(24-15)11-22-13-4-2-1-3-12(13)18-14(22)10-21-5-7-23-8-6-21/h1-4H,5-11H2
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n/an/a 6.68E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222037
PNG
(2-(Morpholinomethyl)-1-((5-p-tolyl-1,3,4-oxadiazol...)
Show SMILES Cc1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C22H23N5O2/c1-16-6-8-17(9-7-16)22-25-24-21(29-22)15-27-19-5-3-2-4-18(19)23-20(27)14-26-10-12-28-13-11-26/h2-9H,10-15H2,1H3
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n/an/a 6.78E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222034
PNG
(2-(5-((2-(Morpholinomethyl)-1H-benzimidazol-1-yl)m...)
Show SMILES Oc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H21N5O3/c27-18-8-4-1-5-15(18)21-24-23-20(29-21)14-26-17-7-3-2-6-16(17)22-19(26)13-25-9-11-28-12-10-25/h1-8,27H,9-14H2
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n/an/a 7.00E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222039
PNG
(1-((5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)methy...)
Show SMILES COc1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C22H23N5O3/c1-28-17-8-6-16(7-9-17)22-25-24-21(30-22)15-27-19-5-3-2-4-18(19)23-20(27)14-26-10-12-29-13-11-26/h2-9H,10-15H2,1H3
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222031
PNG
(1-((5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)methyl...)
Show SMILES Fc1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20FN5O2/c22-16-7-5-15(6-8-16)21-25-24-20(29-21)14-27-18-4-2-1-3-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222025
PNG
(1-((5-(2-Chloroethyl)-1,3,4-oxadiazol-2-yl)methyl)...)
Show SMILES ClCCc1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C17H20ClN5O2/c18-6-5-16-20-21-17(25-16)12-23-14-4-2-1-3-13(14)19-15(23)11-22-7-9-24-10-8-22/h1-4H,5-12H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222036
PNG
(2-(Morpholinomethyl)-1-((5-o-tolyl-1,3,4-oxadiazol...)
Show SMILES Cc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C22H23N5O2/c1-16-6-2-3-7-17(16)22-25-24-21(29-22)15-27-19-9-5-4-8-18(19)23-20(27)14-26-10-12-28-13-11-26/h2-9H,10-15H2,1H3
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Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222039
PNG
(1-((5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)methy...)
Show SMILES COc1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C22H23N5O3/c1-28-17-8-6-16(7-9-17)22-25-24-21(30-22)15-27-19-5-3-2-4-18(19)23-20(27)14-26-10-12-29-13-11-26/h2-9H,10-15H2,1H3
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222025
PNG
(1-((5-(2-Chloroethyl)-1,3,4-oxadiazol-2-yl)methyl)...)
Show SMILES ClCCc1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C17H20ClN5O2/c18-6-5-16-20-21-17(25-16)12-23-14-4-2-1-3-13(14)19-15(23)11-22-7-9-24-10-8-22/h1-4H,5-12H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222022
PNG
(1-((5-Methyl-1,3,4-oxadiazol-2-yl)methyl)-2-(morph...)
Show SMILES Cc1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C16H19N5O2/c1-12-18-19-16(23-12)11-21-14-5-3-2-4-13(14)17-15(21)10-20-6-8-22-9-7-20/h2-5H,6-11H2,1H3
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222033
PNG
(2-(Morpholinomethyl)-1-((5-(4-nitrophenyl)-1,3,4-o...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20N6O4/c28-27(29)16-7-5-15(6-8-16)21-24-23-20(31-21)14-26-18-4-2-1-3-17(18)22-19(26)13-25-9-11-30-12-10-25/h1-8H,9-14H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222022
PNG
(1-((5-Methyl-1,3,4-oxadiazol-2-yl)methyl)-2-(morph...)
Show SMILES Cc1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C16H19N5O2/c1-12-18-19-16(23-12)11-21-14-5-3-2-4-13(14)17-15(21)10-20-6-8-22-9-7-20/h2-5H,6-11H2,1H3
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222029
PNG
(1-((5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)methyl...)
Show SMILES Clc1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20ClN5O2/c22-16-7-5-15(6-8-16)21-25-24-20(29-21)14-27-18-4-2-1-3-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM222026
PNG
((5-((2-(Morpholinomethyl)-1H-benzimidazol-1-yl)met...)
Show SMILES NCc1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C16H20N6O2/c17-9-15-19-20-16(24-15)11-22-13-4-2-1-3-12(13)18-14(22)10-21-5-7-23-8-6-21/h1-4H,5-11,17H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222027
PNG
(2-(Morpholinomethyl)-1-((5-phenyl-1,3,4-oxadiazol-...)
Show SMILES C(N1CCOCC1)c1nc2ccccc2n1Cc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O2/c1-2-6-16(7-3-1)21-24-23-20(28-21)15-26-18-9-5-4-8-17(18)22-19(26)14-25-10-12-27-13-11-25/h1-9H,10-15H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222035
PNG
(4-(5-((2-(Morpholinomethyl)-1H-benzimidazol-1-yl)m...)
Show SMILES Oc1ccc(cc1)-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H21N5O3/c27-16-7-5-15(6-8-16)21-24-23-20(29-21)14-26-18-4-2-1-3-17(18)22-19(26)13-25-9-11-28-12-10-25/h1-8,27H,9-14H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222034
PNG
(2-(5-((2-(Morpholinomethyl)-1H-benzimidazol-1-yl)m...)
Show SMILES Oc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H21N5O3/c27-18-8-4-1-5-15(18)21-24-23-20(29-21)14-26-17-7-3-2-6-16(17)22-19(26)13-25-9-11-28-12-10-25/h1-8,27H,9-14H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222024
PNG
(1-((5-(Chloromethyl)-1,3,4-oxadiazol-2-yl)methyl)-...)
Show SMILES ClCc1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C16H18ClN5O2/c17-9-15-19-20-16(24-15)11-22-13-4-2-1-3-12(13)18-14(22)10-21-5-7-23-8-6-21/h1-4H,5-11H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222023
PNG
(1-((5-Ethyl-1,3,4-oxadiazol-2-yl)methyl)-2-(morpho...)
Show SMILES CCc1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C17H21N5O2/c1-2-16-19-20-17(24-16)12-22-14-6-4-3-5-13(14)18-15(22)11-21-7-9-23-10-8-21/h3-6H,2,7-12H2,1H3
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222038
PNG
(1-((5-(2-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)methy...)
Show SMILES COc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C22H23N5O3/c1-28-19-9-5-2-6-16(19)22-25-24-21(30-22)15-27-18-8-4-3-7-17(18)23-20(27)14-26-10-12-29-13-11-26/h2-9H,10-15H2,1H3
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222032
PNG
(2-(Morpholinomethyl)-1-((5-(2-nitrophenyl)-1,3,4-o...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20N6O4/c28-27(29)17-7-3-1-5-15(17)21-24-23-20(31-21)14-26-18-8-4-2-6-16(18)22-19(26)13-25-9-11-30-12-10-25/h1-8H,9-14H2
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Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222028
PNG
(1-((5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl)methyl...)
Show SMILES Clc1ccccc1-c1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C21H20ClN5O2/c22-16-6-2-1-5-15(16)21-25-24-20(29-21)14-27-18-8-4-3-7-17(18)23-19(27)13-26-9-11-28-12-10-26/h1-8H,9-14H2
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Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM222026
PNG
((5-((2-(Morpholinomethyl)-1H-benzimidazol-1-yl)met...)
Show SMILES NCc1nnc(Cn2c(CN3CCOCC3)nc3ccccc23)o1
Show InChI InChI=1S/C16H20N6O2/c17-9-15-19-20-16(24-15)11-22-13-4-2-1-3-12(13)18-14(22)10-21-5-7-23-8-6-21/h1-4H,5-11,17H2
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PC cid
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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University); Buraydah Private Colleges



Assay Description
The COX activity was assayed colorimetrically by monitoring the appearance of oxidized N,N,N',N'-tetramethyl-pphenylenediamine (TMPD) at 590 ...

Bioorg Chem 70: 107-117 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.014
BindingDB Entry DOI: 10.7270/Q2N015DB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%