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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'fortuna' and Initial = 'cg'   
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 1


(Ovis aries (Sheep))
BDBM50376383
PNG
(CHEMBL259972)
Show SMILES COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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n/an/a 1.40n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50084631
PNG
(CHEMBL3427203)
Show SMILES COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3
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n/an/a 4.90n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced COX1 in human whole blood assessed as reduction in TXB2 levels by radioimmunoassay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50376383
PNG
(CHEMBL259972)
Show SMILES COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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Thomas Jefferson University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 catalytic activity using arachidonic acid as substrate preincubated for 5 mins followed by substrate and hemin addition meas...


Eur J Med Chem 138: 661-668 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.045
BindingDB Entry DOI: 10.7270/Q2D2215F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50376383
PNG
(CHEMBL259972)
Show SMILES COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX1 assessed as reduction in appearance of oxidized TMPD using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 141: 404-416 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.066
BindingDB Entry DOI: 10.7270/Q2NS0XFF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50376383
PNG
(CHEMBL259972)
Show SMILES COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50556691
PNG
(CHEMBL4760140)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)Cc3onc(c3-c3ccc(OC)cc3)-c3ccc(OC)cc3)cc2)c1-c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50376383
PNG
(CHEMBL259972)
Show SMILES COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531488
PNG
(CHEMBL4590829)
Show SMILES COc1ccc(cc1)-c1noc(C=C)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO3/c1-4-17-18(13-5-9-15(21-2)10-6-13)19(20-23-17)14-7-11-16(22-3)12-8-14/h4-12H,1H2,2-3H3
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50556695
PNG
(CHEMBL4746714)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(NC(=O)Cc2onc(c2-c2ccc(OC)cc2)-c2ccc(OC)cc2)cc1
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50531485
PNG
(CHEMBL4515876)
Show SMILES Cc1onc(c1-c1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H14FNO3S/c1-11-16(12-3-7-14(18)8-4-12)17(19-22-11)13-5-9-15(10-6-13)23(2,20)21/h3-10H,1-2H3
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50556696
PNG
(CHEMBL4759732)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)Nc2ccc(cc2)-c2ccc(N)cc2)c1-c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531483
PNG
(CHEMBL4462870)
Show SMILES COc1ccc(cc1)-c1noc(C)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C18H17NO3/c1-12-17(13-4-8-15(20-2)9-5-13)18(19-22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50556690
PNG
(CHEMBL4799478)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)NCc2ccc(CNC(=O)Cc3onc(c3-c3ccc(OC)cc3)-c3ccc(OC)cc3)cc2)c1-c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50556697
PNG
(CHEMBL4789403)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(cc1)-c1ccc(NC(=O)Cc2onc(c2-c2ccc(OC)cc2)-c2ccc(OC)cc2)cc1
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TBA

Assay Description
Inhibition of human COX-2 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531486
PNG
(CHEMBL4475349)
Show SMILES COc1ccc(cc1)-c1noc(CBr)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C18H16BrNO3/c1-21-14-7-3-12(4-8-14)17-16(11-19)23-20-18(17)13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531487
PNG
(CHEMBL4571499)
Show SMILES COc1ccc(cc1)-c1noc(CCO)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H19NO4/c1-22-15-7-3-13(4-8-15)18-17(11-12-21)24-20-19(18)14-5-9-16(23-2)10-6-14/h3-10,21H,11-12H2,1-2H3
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50556685
PNG
(CHEMBL4740788)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)NCCNC(=O)Cc2onc(c2-c2ccc(OC)cc2)-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of human COX-2 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50556688
PNG
(CHEMBL4744394)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)NCCCCCCCCCCCCNC(=O)Cc2onc(c2-c2ccc(OC)cc2)-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50531486
PNG
(CHEMBL4475349)
Show SMILES COc1ccc(cc1)-c1noc(CBr)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C18H16BrNO3/c1-21-14-7-3-12(4-8-14)17-16(11-19)23-20-18(17)13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50531487
PNG
(CHEMBL4571499)
Show SMILES COc1ccc(cc1)-c1noc(CCO)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H19NO4/c1-22-15-7-3-13(4-8-15)18-17(11-12-21)24-20-19(18)14-5-9-16(23-2)10-6-14/h3-10,21H,11-12H2,1-2H3
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50283371
PNG
(CHEMBL4163044)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)c1-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C25H27NO10/c1-32-15-7-3-13(4-8-15)20-17(36-26-21(20)14-5-9-16(33-2)10-6-14)11-19(27)34-12-18-22(28)23(29)24(30)25(31)35-18/h3-10,18,22-25,28-31H,11-12H2,1-2H3/t18-,22+,23+,24-,25-/m1/s1
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX1 assessed as reduction in appearance of oxidized TMPD using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 141: 404-416 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.066
BindingDB Entry DOI: 10.7270/Q2NS0XFF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50283373
PNG
(CHEMBL4171339)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)NCCCCCCCCCCC(=O)OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@H]2O)c1-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C36H48N2O11/c1-45-25-16-12-23(13-17-25)31-27(49-38-32(31)24-14-18-26(46-2)19-15-24)21-29(39)37-20-10-8-6-4-3-5-7-9-11-30(40)47-22-28-33(41)34(42)35(43)36(44)48-28/h12-19,28,33-36,41-44H,3-11,20-22H2,1-2H3,(H,37,39)/t28-,33+,34+,35-,36?/m1/s1
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n/an/a 270n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX2 assessed as reduction in appearance of oxidized TMPD using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 141: 404-416 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.066
BindingDB Entry DOI: 10.7270/Q2NS0XFF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50556696
PNG
(CHEMBL4759732)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)Nc2ccc(cc2)-c2ccc(N)cc2)c1-c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of human COX-2 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50531496
PNG
(CHEMBL4441970)
Show SMILES COc1ccc(cc1)-c1noc(CF)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C18H16FNO3/c1-21-14-7-3-12(4-8-14)17-16(11-19)23-20-18(17)13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531496
PNG
(CHEMBL4441970)
Show SMILES COc1ccc(cc1)-c1noc(CF)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C18H16FNO3/c1-21-14-7-3-12(4-8-14)17-16(11-19)23-20-18(17)13-5-9-15(22-2)10-6-13/h3-10H,11H2,1-2H3
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n/an/a 350n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50531483
PNG
(CHEMBL4462870)
Show SMILES COc1ccc(cc1)-c1noc(C)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C18H17NO3/c1-12-17(13-4-8-15(20-2)9-5-13)18(19-22-12)14-6-10-16(21-3)11-7-14/h4-11H,1-3H3
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n/an/a 350n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX2 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50283373
PNG
(CHEMBL4171339)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)NCCCCCCCCCCC(=O)OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@H]2O)c1-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C36H48N2O11/c1-45-25-16-12-23(13-17-25)31-27(49-38-32(31)24-14-18-26(46-2)19-15-24)21-29(39)37-20-10-8-6-4-3-5-7-9-11-30(40)47-22-28-33(41)34(42)35(43)36(44)48-28/h12-19,28,33-36,41-44H,3-11,20-22H2,1-2H3,(H,37,39)/t28-,33+,34+,35-,36?/m1/s1
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n/an/a 400n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX1 assessed as reduction in appearance of oxidized TMPD using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 141: 404-416 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.066
BindingDB Entry DOI: 10.7270/Q2NS0XFF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50376383
PNG
(CHEMBL259972)
Show SMILES COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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n/an/a 440n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-2 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50556694
PNG
(CHEMBL4758894)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)Nc2ccc(N)cc2)c1-c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of human COX-2 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50153040
PNG
(3-(5-Chloro-furan-2-yl)-5-methyl-4-phenyl-isoxazol...)
Show SMILES Cc1onc(-c2ccc(Cl)o2)c1-c1ccccc1
Show InChI InChI=1S/C14H10ClNO2/c1-9-13(10-5-3-2-4-6-10)14(16-18-9)11-7-8-12(15)17-11/h2-8H,1H3
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n/an/a 500n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced COX1 in human whole blood assessed as reduction in TXB2 levels by radioimmunoassay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50556693
PNG
(CHEMBL4794474)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCCCNC(=O)Cc1onc(c1-c1ccc(OC)cc1)-c1ccc(OC)cc1
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n/an/a 800n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human COX-2 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50556692
PNG
(CHEMBL4789452)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)NCCCCN)c1-c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50084649
PNG
(CHEMBL3114664)
Show SMILES Nc1onc(-c2ccc(Cl)o2)c1-c1ccccc1
Show InChI InChI=1S/C13H9ClN2O2/c14-10-7-6-9(17-10)12-11(13(15)18-16-12)8-4-2-1-3-5-8/h1-7H,15H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50084642
PNG
(CHEMBL3427198)
Show SMILES COc1ccc(cc1)-n1nnc(c1C)-c1ccc(N)cc1
Show InChI InChI=1S/C16H16N4O/c1-11-16(12-3-5-13(17)6-4-12)18-19-20(11)14-7-9-15(21-2)10-8-14/h3-10H,17H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531484
PNG
(CHEMBL4470970)
Show SMILES COc1ccc(cc1)-c1c(C)onc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H14FNO2/c1-11-16(12-5-9-15(20-2)10-6-12)17(19-21-11)13-3-7-14(18)8-4-13/h3-10H,1-2H3
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50283371
PNG
(CHEMBL4163044)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)c1-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C25H27NO10/c1-32-15-7-3-13(4-8-15)20-17(36-26-21(20)14-5-9-16(33-2)10-6-14)11-19(27)34-12-18-22(28)23(29)24(30)25(31)35-18/h3-10,18,22-25,28-31H,11-12H2,1-2H3/t18-,22+,23+,24-,25-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human COX2 assessed as reduction in appearance of oxidized TMPD using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 141: 404-416 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.066
BindingDB Entry DOI: 10.7270/Q2NS0XFF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50084631
PNG
(CHEMBL3427203)
Show SMILES COc1nc(-c2ccc(OC)cc2)n(n1)-c1ccc(OC)cc1
Show InChI InChI=1S/C17H17N3O3/c1-21-14-8-4-12(5-9-14)16-18-17(23-3)19-20(16)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced COX2 in human whole blood assessed as reduction in PGH2 levels by radioimmunoassay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50084632
PNG
(CHEMBL3427204)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccco1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O2/c1-21-11-6-4-10(5-7-11)20-12(13-3-2-8-22-13)9-14(19-20)15(16,17)18/h2-9H,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50556692
PNG
(CHEMBL4789452)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)NCCCCN)c1-c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of human COX-2 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50084645
PNG
(CHEMBL3114671)
Show SMILES Cc1onc(-c2ccc(Cl)o2)c1-c1ccc(N)cc1
Show InChI InChI=1S/C14H11ClN2O2/c1-8-13(9-2-4-10(16)5-3-9)14(17-19-8)11-6-7-12(15)18-11/h2-7H,16H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50556685
PNG
(CHEMBL4740788)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)NCCNC(=O)Cc2onc(c2-c2ccc(OC)cc2)-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
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TBA

Assay Description
Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50556687
PNG
(CHEMBL4788569)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)NCCCCCCNC(=O)Cc2onc(c2-c2ccc(OC)cc2)-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
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n/an/a 7.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531493
PNG
(CHEMBL4570802)
Show SMILES COc1ccc(cc1)-c1c(CC(O)=O)onc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H14FNO4/c1-23-14-8-4-11(5-9-14)17-15(10-16(21)22)24-20-18(17)12-2-6-13(19)7-3-12/h2-9H,10H2,1H3,(H,21,22)
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University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531497
PNG
(CHEMBL4436511)
Show SMILES COc1ccc(cc1)-c1noc(N)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C17H16N2O3/c1-20-13-7-3-11(4-8-13)15-16(19-22-17(15)18)12-5-9-14(21-2)10-6-12/h3-10H,18H2,1-2H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50556686
PNG
(CHEMBL4749219)
Show SMILES COc1ccc(cc1)-c1noc(CC(=O)NCCCCNC(=O)Cc2onc(c2-c2ccc(OC)cc2)-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ovine COX-1 assessed as peroxidase activity using arachidonic acid as substrate by colorimetric method


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112919
BindingDB Entry DOI: 10.7270/Q2CF9TRQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531481
PNG
(CHEMBL4567742)
Show SMILES COc1ccc(cc1)-c1c(CC(O)=O)onc1-c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C20H18N2O5/c1-12(23)21-15-7-3-14(4-8-15)20-19(17(27-22-20)11-18(24)25)13-5-9-16(26-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,23)(H,24,25)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531494
PNG
(CHEMBL4449420)
Show SMILES Nc1onc(c1-c1ccc(F)cc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H10FN3O3/c16-11-5-1-9(2-6-11)13-14(18-22-15(13)17)10-3-7-12(8-4-10)19(20)21/h1-8H,17H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50531489
PNG
(CHEMBL4445036)
Show SMILES COc1ccc(cc1)-c1c(N)onc1-c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN2O2/c1-20-13-8-4-10(5-9-13)14-15(19-21-16(14)18)11-2-6-12(17)7-3-11/h2-9H,18H2,1H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric assay


Eur J Med Chem 164: 59-76 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.029
BindingDB Entry DOI: 10.7270/Q2W099CR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50084643
PNG
(CHEMBL3427197)
Show SMILES Cc1c(nnn1-c1ccc(N)cc1)-c1ccccc1
Show InChI InChI=1S/C15H14N4/c1-11-15(12-5-3-2-4-6-12)17-18-19(11)14-9-7-13(16)8-10-14/h2-10H,16H2,1H3
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Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.049
BindingDB Entry DOI: 10.7270/Q2416ZRX
More data for this
Ligand-Target Pair
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