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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'ahsan' and Initial = 'mj'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 0.120n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310599
PNG
(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-2-indenyl-3,4,5...)
Show SMILES COc1cc2CC(C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C21H22O7/c1-24-15-7-11-6-14(20(23)13(11)10-16(15)25-2)19(22)12-8-17(26-3)21(28-5)18(9-12)27-4/h7-10,14H,6H2,1-5H3
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n/an/a 2.70n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310598
PNG
(2-(3,4-dimethoxybenzoyl)-5,6-dimethoxy-2,3-dihydro...)
Show SMILES COc1ccc(cc1OC)C(=O)C1Cc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C20H20O6/c1-23-15-6-5-11(8-16(15)24-2)19(21)14-7-12-9-17(25-3)18(26-4)10-13(12)20(14)22/h5-6,8-10,14H,7H2,1-4H3
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n/an/a 4.30n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310594
PNG
(5,6-dimethoxy-2-(4-methoxybenzoyl)-2,3-dihydro-1H-...)
Show SMILES COc1ccc(cc1)C(=O)C1Cc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C19H18O5/c1-22-13-6-4-11(5-7-13)18(20)15-8-12-9-16(23-2)17(24-3)10-14(12)19(15)21/h4-7,9-10,15H,8H2,1-3H3
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n/an/a 6.20n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310604
PNG
(5,6-dimethoxy-2-(thiophene-2-carbonyl)-2,3-dihydro...)
Show SMILES COc1cc2CC(C(=O)c3cccs3)C(=O)c2cc1OC
Show InChI InChI=1S/C16H14O4S/c1-19-12-7-9-6-11(16(18)14-4-3-5-21-14)15(17)10(9)8-13(12)20-2/h3-5,7-8,11H,6H2,1-2H3
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n/an/a 8.60n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310603
PNG
(2-(furan-2-carbonyl)-5,6-dimethoxy-2,3-dihydro-1H-...)
Show SMILES COc1cc2CC(C(=O)c3ccco3)C(=O)c2cc1OC
Show InChI InChI=1S/C16H14O5/c1-19-13-7-9-6-11(16(18)12-4-3-5-21-12)15(17)10(9)8-14(13)20-2/h3-5,7-8,11H,6H2,1-2H3
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n/an/a 9.40n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310597
PNG
(2-benzoyl-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one...)
Show SMILES COc1cc2CC(C(=O)c3ccccc3)C(=O)c2cc1OC
Show InChI InChI=1S/C18H16O4/c1-21-15-9-12-8-14(17(19)11-6-4-3-5-7-11)18(20)13(12)10-16(15)22-2/h3-7,9-10,14H,8H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310596
PNG
(2-(4-(dimethylamino)benzoyl)-5,6-dimethoxy-2,3-dih...)
Show SMILES COc1cc2CC(C(=O)c3ccc(cc3)N(C)C)C(=O)c2cc1OC
Show InChI InChI=1S/C20H21NO4/c1-21(2)14-7-5-12(6-8-14)19(22)16-9-13-10-17(24-3)18(25-4)11-15(13)20(16)23/h5-8,10-11,16H,9H2,1-4H3
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n/an/a 29n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Cyclooxygenase


(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)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310595
PNG
(2-(4-chlorobenzoyl)-5,6-dimethoxy-2,3-dihydro-1H-i...)
Show SMILES COc1cc2CC(C(=O)c3ccc(Cl)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C18H15ClO4/c1-22-15-8-11-7-14(18(21)13(11)9-16(15)23-2)17(20)10-3-5-12(19)6-4-10/h3-6,8-9,14H,7H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310600
PNG
(2-(4-fluorobenzoyl)-5,6-dimethoxy-2,3-dihydro-1H-i...)
Show SMILES COc1cc2CC(C(=O)c3ccc(F)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C18H15FO4/c1-22-15-8-11-7-14(18(21)13(11)9-16(15)23-2)17(20)10-3-5-12(19)6-4-10/h3-6,8-9,14H,7H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310605
PNG
(2-(4-bromobenzoyl)-5,6-dimethoxy-2,3-dihydro-1H-in...)
Show SMILES COc1cc2CC(C(=O)c3ccc(Br)cc3)C(=O)c2cc1OC
Show InChI InChI=1S/C18H15BrO4/c1-22-15-8-11-7-14(18(21)13(11)9-16(15)23-2)17(20)10-3-5-12(19)6-4-10/h3-6,8-9,14H,7H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310606
PNG
(4-(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-indene-2-car...)
Show SMILES COc1cc2CC(C(=O)c3ccc(cc3)C#N)C(=O)c2cc1OC
Show InChI InChI=1S/C19H15NO4/c1-23-16-8-13-7-15(19(22)14(13)9-17(16)24-2)18(21)12-5-3-11(10-20)4-6-12/h3-6,8-9,15H,7H2,1-2H3
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n/an/a 53n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310601
PNG
(2-(2-chlorobenzoyl)-5,6-dimethoxy-2,3-dihydro-1H-i...)
Show SMILES COc1cc2CC(C(=O)c3ccccc3Cl)C(=O)c2cc1OC
Show InChI InChI=1S/C18H15ClO4/c1-22-15-8-10-7-13(18(21)12(10)9-16(15)23-2)17(20)11-5-3-4-6-14(11)19/h3-6,8-9,13H,7H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50310602
PNG
(2-(2,6-dichlorobenzoyl)-5,6-dimethoxy-2,3-dihydro-...)
Show SMILES COc1cc2CC(C(=O)c3c(Cl)cccc3Cl)C(=O)c2cc1OC
Show InChI InChI=1S/C18H14Cl2O4/c1-23-14-7-9-6-11(17(21)10(9)8-15(14)24-2)18(22)16-12(19)4-3-5-13(16)20/h3-5,7-8,11H,6H2,1-2H3
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n/an/a 102n/an/an/an/an/an/a



Alwar Pharmacy College

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem Lett 19: 5075-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.042
BindingDB Entry DOI: 10.7270/Q2Z0389S
More data for this
Ligand-Target Pair
Cyclooxygenase


(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
Cyclooxygenase


(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
Cyclooxygenase


(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 (cyclooxygenase)


(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
3D
3D Structure (crystal)
Cyclooxygenase


(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
Cyclooxygenase


(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
Cyclooxygenase


(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
Cyclooxygenase


(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
Cyclooxygenase


(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
Cyclooxygenase


(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
Cyclooxygenase


(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
Cyclooxygenase


(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 (cyclooxygenase)


(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
Cyclooxygenase


(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
Cyclooxygenase


(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 (cyclooxygenase)


(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
Cyclooxygenase


(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
Cyclooxygenase


(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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n/an/a 7.08E+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 (cyclooxygenase)


(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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n/an/a 7.08E+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
Cyclooxygenase


(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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n/an/a 7.11E+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 (cyclooxygenase)


(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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n/an/a 7.42E+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 (cyclooxygenase)


(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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n/an/a 8.46E+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 (cyclooxygenase)


(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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n/an/a 8.87E+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
Cyclooxygenase


(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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n/an/a 8.89E+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 (cyclooxygenase)


(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 (cyclooxygenase)


(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 (cyclooxygenase)


(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 (cyclooxygenase)


(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 (cyclooxygenase)


(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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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 (cyclooxygenase)


(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 (cyclooxygenase)


(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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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 (cyclooxygenase)


(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 (cyclooxygenase)


(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 (cyclooxygenase)


(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
Cyclooxygenase


(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
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