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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'abdelall' and Initial = 'eka'   
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 E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229728
PNG
(CHEMBL4062843)
Show SMILES CN(C)\C=C\C(=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C22H29N7O3/c1-27(2)8-7-19(30)17-3-5-18(6-4-17)23-20-24-21(28-9-13-31-14-10-28)26-22(25-20)29-11-15-32-16-12-29/h3-8H,9-16H2,1-2H3,(H,23,24,25,26)/b8-7+
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n/an/a 550n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229723
PNG
(CHEMBL4089144)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
Show InChI InChI=1S/C33H42N8O4/c1-22(42)41-27(24-19-28(43-2)30(45-4)29(20-24)44-3)21-26(38-41)23-11-13-25(14-12-23)34-31-35-32(39-15-7-5-8-16-39)37-33(36-31)40-17-9-6-10-18-40/h11-14,19-20,27H,5-10,15-18,21H2,1-4H3,(H,34,35,36,37)
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n/an/a 690n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229716
PNG
(CHEMBL4063300)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nccc1-c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H30N8O4S/c1-40(36,37)23-8-6-22(7-9-23)35-24(10-11-28-35)20-2-4-21(5-3-20)29-25-30-26(33-12-16-38-17-13-33)32-27(31-25)34-14-18-39-19-15-34/h2-11H,12-19H2,1H3,(H,29,30,31,32)
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n/an/a 740n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/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 780n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229724
PNG
(CHEMBL4063273)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2)cc(OC)c1OC
Show InChI InChI=1S/C29H34N6O6/c1-37-24-18-20(19-25(38-2)26(24)39-3)4-9-23(36)21-5-7-22(8-6-21)30-27-31-28(34-10-14-40-15-11-34)33-29(32-27)35-12-16-41-17-13-35/h4-9,18-19H,10-17H2,1-3H3,(H,30,31,32,33)/b9-4+
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n/an/a 870n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229721
PNG
(CHEMBL4085306)
Show SMILES C1CCN(CC1)c1nc(Nc2ccc(cc2)-c2ccn[nH]2)nc(n1)N1CCCCC1
Show InChI InChI=1S/C22H28N8/c1-3-13-29(14-4-1)21-25-20(26-22(27-21)30-15-5-2-6-16-30)24-18-9-7-17(8-10-18)19-11-12-23-28-19/h7-12H,1-6,13-16H2,(H,23,28)(H,24,25,26,27)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229719
PNG
(CHEMBL4072576)
Show SMILES C1CN(CCO1)c1nc(Nc2ccc(cc2)-c2ccno2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C20H23N7O3/c1-3-16(4-2-15(1)17-5-6-21-30-17)22-18-23-19(26-7-11-28-12-8-26)25-20(24-18)27-9-13-29-14-10-27/h1-6H,7-14H2,(H,22,23,24,25)
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n/an/a 1.17E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229725
PNG
(CHEMBL1578132)
Show SMILES CC(=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C19H24N6O3/c1-14(26)15-2-4-16(5-3-15)20-17-21-18(24-6-10-27-11-7-24)23-19(22-17)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3,(H,20,21,22,23)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229717
PNG
(CHEMBL4085904)
Show SMILES C1CN(CCO1)c1nc(Nc2ccc(cc2)-c2ccnn2-c2ccccc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C26H28N8O2/c1-2-4-22(5-3-1)34-23(10-11-27-34)20-6-8-21(9-7-20)28-24-29-25(32-12-16-35-17-13-32)31-26(30-24)33-14-18-36-19-15-33/h1-11H,12-19H2,(H,28,29,30,31)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229730
PNG
(CHEMBL4096849)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2)cc(OC)c1OC
Show InChI InChI=1S/C31H38N6O4/c1-39-26-20-22(21-27(40-2)28(26)41-3)10-15-25(38)23-11-13-24(14-12-23)32-29-33-30(36-16-6-4-7-17-36)35-31(34-29)37-18-8-5-9-19-37/h10-15,20-21H,4-9,16-19H2,1-3H3,(H,32,33,34,35)/b15-10+
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n/an/a 1.63E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229720
PNG
(CHEMBL4067079)
Show SMILES C1CN(CCO1)c1nc(Nc2ccc(cc2)-c2ccn[nH]2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C20H24N8O2/c1-3-16(4-2-15(1)17-5-6-21-26-17)22-18-23-19(27-7-11-29-12-8-27)25-20(24-18)28-9-13-30-14-10-28/h1-6H,7-14H2,(H,21,26)(H,22,23,24,25)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229722
PNG
(CHEMBL4078762)
Show SMILES CN(C)\C=C\C(=O)c1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
Show InChI InChI=1S/C24H33N7O/c1-29(2)18-13-21(32)19-9-11-20(12-10-19)25-22-26-23(30-14-5-3-6-15-30)28-24(27-22)31-16-7-4-8-17-31/h9-13,18H,3-8,14-17H2,1-2H3,(H,25,26,27,28)/b18-13+
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n/an/a 1.76E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229718
PNG
(CHEMBL4072942)
Show SMILES C1CCN(CC1)c1nc(Nc2ccc(cc2)-c2ccnn2-c2ccccc2)nc(n1)N1CCCCC1
Show InChI InChI=1S/C28H32N8/c1-4-10-24(11-5-1)36-25(16-17-29-36)22-12-14-23(15-13-22)30-26-31-27(34-18-6-2-7-19-34)33-28(32-26)35-20-8-3-9-21-35/h1,4-5,10-17H,2-3,6-9,18-21H2,(H,30,31,32,33)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229727
PNG
(CHEMBL4075910)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nccc1-c1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
Show InChI InChI=1S/C29H34N8O2S/c1-40(38,39)25-14-12-24(13-15-25)37-26(16-17-30-37)22-8-10-23(11-9-22)31-27-32-28(35-18-4-2-5-19-35)34-29(33-27)36-20-6-3-7-21-36/h8-17H,2-7,18-21H2,1H3,(H,31,32,33,34)
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n/an/a 1.96E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229731
PNG
(CHEMBL4080823)
Show SMILES C1CCN(CC1)c1nc(Nc2ccc(cc2)-c2ccno2)nc(n1)N1CCCCC1
Show InChI InChI=1S/C22H27N7O/c1-3-13-28(14-4-1)21-25-20(26-22(27-21)29-15-5-2-6-16-29)24-18-9-7-17(8-10-18)19-11-12-23-30-19/h7-12H,1-6,13-16H2,(H,24,25,26,27)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229726
PNG
(CHEMBL4104574)
Show SMILES CC(=O)c1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
Show InChI InChI=1S/C21H28N6O/c1-16(28)17-8-10-18(11-9-17)22-19-23-20(26-12-4-2-5-13-26)25-21(24-19)27-14-6-3-7-15-27/h8-11H,2-7,12-15H2,1H3,(H,22,23,24,25)
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n/an/a 2.41E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50229729
PNG
(CHEMBL4097555)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C31H38N8O6/c1-20(40)39-25(22-17-26(41-2)28(43-4)27(18-22)42-3)19-24(36-39)21-5-7-23(8-6-21)32-29-33-30(37-9-13-44-14-10-37)35-31(34-29)38-11-15-45-16-12-38/h5-8,17-18,25H,9-16,19H2,1-4H3,(H,32,33,34,35)
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n/an/a 2.86E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 2.94E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229723
PNG
(CHEMBL4089144)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
Show InChI InChI=1S/C33H42N8O4/c1-22(42)41-27(24-19-28(43-2)30(45-4)29(20-24)44-3)21-26(38-41)23-11-13-25(14-12-23)34-31-35-32(39-15-7-5-8-16-39)37-33(36-31)40-17-9-6-10-18-40/h11-14,19-20,27H,5-10,15-18,21H2,1-4H3,(H,34,35,36,37)
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n/an/a 3.52E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229716
PNG
(CHEMBL4063300)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nccc1-c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C27H30N8O4S/c1-40(36,37)23-8-6-22(7-9-23)35-24(10-11-28-35)20-2-4-21(5-3-20)29-25-30-26(33-12-16-38-17-13-33)32-27(31-25)34-14-18-39-19-15-34/h2-11H,12-19H2,1H3,(H,29,30,31,32)
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n/an/a 3.87E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229728
PNG
(CHEMBL4062843)
Show SMILES CN(C)\C=C\C(=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C22H29N7O3/c1-27(2)8-7-19(30)17-3-5-18(6-4-17)23-20-24-21(28-9-13-31-14-10-28)26-22(25-20)29-11-15-32-16-12-29/h3-8H,9-16H2,1-2H3,(H,23,24,25,26)/b8-7+
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n/an/a 3.98E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229719
PNG
(CHEMBL4072576)
Show SMILES C1CN(CCO1)c1nc(Nc2ccc(cc2)-c2ccno2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C20H23N7O3/c1-3-16(4-2-15(1)17-5-6-21-30-17)22-18-23-19(26-7-11-28-12-8-26)25-20(24-18)27-9-13-29-14-10-27/h1-6H,7-14H2,(H,22,23,24,25)
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n/an/a 4.33E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229724
PNG
(CHEMBL4063273)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2)cc(OC)c1OC
Show InChI InChI=1S/C29H34N6O6/c1-37-24-18-20(19-25(38-2)26(24)39-3)4-9-23(36)21-5-7-22(8-6-21)30-27-31-28(34-10-14-40-15-11-34)33-29(32-27)35-12-16-41-17-13-35/h4-9,18-19H,10-17H2,1-3H3,(H,30,31,32,33)/b9-4+
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n/an/a 4.65E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229721
PNG
(CHEMBL4085306)
Show SMILES C1CCN(CC1)c1nc(Nc2ccc(cc2)-c2ccn[nH]2)nc(n1)N1CCCCC1
Show InChI InChI=1S/C22H28N8/c1-3-13-29(14-4-1)21-25-20(26-22(27-21)30-15-5-2-6-16-30)24-18-9-7-17(8-10-18)19-11-12-23-28-19/h7-12H,1-6,13-16H2,(H,23,28)(H,24,25,26,27)
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n/an/a 4.95E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229717
PNG
(CHEMBL4085904)
Show SMILES C1CN(CCO1)c1nc(Nc2ccc(cc2)-c2ccnn2-c2ccccc2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C26H28N8O2/c1-2-4-22(5-3-1)34-23(10-11-27-34)20-6-8-21(9-7-20)28-24-29-25(32-12-16-35-17-13-32)31-26(30-24)33-14-18-36-19-15-33/h1-11H,12-19H2,(H,28,29,30,31)
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n/an/a 4.99E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229720
PNG
(CHEMBL4067079)
Show SMILES C1CN(CCO1)c1nc(Nc2ccc(cc2)-c2ccn[nH]2)nc(n1)N1CCOCC1
Show InChI InChI=1S/C20H24N8O2/c1-3-16(4-2-15(1)17-5-6-21-26-17)22-18-23-19(27-7-11-29-12-8-27)25-20(24-18)28-9-13-30-14-10-28/h1-6H,7-14H2,(H,21,26)(H,22,23,24,25)
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n/an/a 5.26E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
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 5.64E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229725
PNG
(CHEMBL1578132)
Show SMILES CC(=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C19H24N6O3/c1-14(26)15-2-4-16(5-3-15)20-17-21-18(24-6-10-27-11-7-24)23-19(22-17)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3,(H,20,21,22,23)
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n/an/a 5.93E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 6.24E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229718
PNG
(CHEMBL4072942)
Show SMILES C1CCN(CC1)c1nc(Nc2ccc(cc2)-c2ccnn2-c2ccccc2)nc(n1)N1CCCCC1
Show InChI InChI=1S/C28H32N8/c1-4-10-24(11-5-1)36-25(16-17-29-36)22-12-14-23(15-13-22)30-26-31-27(34-18-6-2-7-19-34)33-28(32-26)35-20-8-3-9-21-35/h1,4-5,10-17H,2-3,6-9,18-21H2,(H,30,31,32,33)
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n/an/a 6.42E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229722
PNG
(CHEMBL4078762)
Show SMILES CN(C)\C=C\C(=O)c1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
Show InChI InChI=1S/C24H33N7O/c1-29(2)18-13-21(32)19-9-11-20(12-10-19)25-22-26-23(30-14-5-3-6-15-30)28-24(27-22)31-16-7-4-8-17-31/h9-13,18H,3-8,14-17H2,1-2H3,(H,25,26,27,28)/b18-13+
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n/an/a 6.85E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229731
PNG
(CHEMBL4080823)
Show SMILES C1CCN(CC1)c1nc(Nc2ccc(cc2)-c2ccno2)nc(n1)N1CCCCC1
Show InChI InChI=1S/C22H27N7O/c1-3-13-28(14-4-1)21-25-20(26-22(27-21)29-15-5-2-6-16-29)24-18-9-7-17(8-10-18)19-11-12-23-30-19/h7-12H,1-6,13-16H2,(H,24,25,26,27)
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n/an/a 7.23E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 7.24E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229730
PNG
(CHEMBL4096849)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(Nc3nc(nc(n3)N3CCCCC3)N3CCCCC3)cc2)cc(OC)c1OC
Show InChI InChI=1S/C31H38N6O4/c1-39-26-20-22(21-27(40-2)28(26)41-3)10-15-25(38)23-11-13-24(14-12-23)32-29-33-30(36-16-6-4-7-17-36)35-31(34-29)37-18-8-5-9-19-37/h10-15,20-21H,4-9,16-19H2,1-3H3,(H,32,33,34,35)/b15-10+
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n/an/a 7.25E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229727
PNG
(CHEMBL4075910)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nccc1-c1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
Show InChI InChI=1S/C29H34N8O2S/c1-40(38,39)25-14-12-24(13-15-25)37-26(16-17-30-37)22-8-10-23(11-9-22)31-27-32-28(35-18-4-2-5-19-35)34-29(33-27)36-20-6-3-7-21-36/h8-17H,2-7,18-21H2,1H3,(H,31,32,33,34)
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n/an/a 7.98E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229726
PNG
(CHEMBL4104574)
Show SMILES CC(=O)c1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
Show InChI InChI=1S/C21H28N6O/c1-16(28)17-8-10-18(11-9-17)22-19-23-20(26-12-4-2-5-13-26)25-21(24-19)27-14-6-3-7-15-27/h8-11H,2-7,12-15H2,1H3,(H,22,23,24,25)
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n/an/a 8.23E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50229729
PNG
(CHEMBL4097555)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1C(C)=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
Show InChI InChI=1S/C31H38N8O6/c1-20(40)39-25(22-17-26(41-2)28(43-4)27(18-22)42-3)19-24(36-39)21-5-7-23(8-6-21)32-29-33-30(37-9-13-44-14-10-37)35-31(34-29)38-11-15-45-16-12-38/h5-8,17-18,25H,9-16,19H2,1-4H3,(H,32,33,34,35)
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UniChem

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PubMed
n/an/a 8.61E+3n/an/an/an/an/an/a



Beni-Suef University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by enzyme i...


Eur J Med Chem 127: 10-21 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.030
More data for this
Ligand-Target Pair