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Compile Data Set for Download or QSAR

Found 475 hits with Last Name = 'perrone' and Initial = 'mg'   
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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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))
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))
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


(Homo sapiens (Human))
BDBM50153038
PNG
(5-Ethyl-3,4-diphenyl-isoxazole | CHEMBL361504)
Show SMILES CCc1onc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H15NO/c1-2-15-16(13-9-5-3-6-10-13)17(18-19-15)14-11-7-4-8-12-14/h3-12H,2H2,1H3
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University of Bari "A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of human platelet COX1 by whole blood assay


Eur J Med Chem 74: 606-18 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.023
BindingDB Entry DOI: 10.7270/Q2SF305M
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))
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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n/an/a 77n/an/an/an/an/an/a



University of Bari "A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by peroxidase activity-based colorimetric assay


Eur J Med Chem 74: 606-18 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.023
BindingDB Entry DOI: 10.7270/Q2SF305M
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 1


(Homo sapiens (Human))
BDBM50153036
PNG
(5-Methyl-3,4-diphenyl-isoxazole | CHEMBL365033)
Show SMILES Cc1onc(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)16(17-18-12)14-10-6-3-7-11-14/h2-11H,1H3
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n/an/a 90n/an/an/an/an/an/a



University of Bari "A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of human platelet COX1 by whole blood assay


Eur J Med Chem 74: 606-18 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.023
BindingDB Entry DOI: 10.7270/Q2SF305M
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))
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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University of Bari "A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by peroxidase activity-based colorimetric assay


Eur J Med Chem 74: 606-18 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.023
BindingDB Entry DOI: 10.7270/Q2SF305M
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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n/an/a 180n/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 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 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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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 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))
BDBM50491544
PNG
(CHEMBL2380862)
Show SMILES Cc1onc(c1-c1ccccc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H12ClNO/c1-11-15(12-6-3-2-4-7-12)16(18-19-11)13-8-5-9-14(17)10-13/h2-10H,1H3
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Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in human whole blood assessed as inhibition of LPS-induced plasma PGE2 level by radioimmunoassay


J Med Chem 56: 4277-99 (2013)


Article DOI: 10.1021/jm301905a
BindingDB Entry DOI: 10.7270/Q21V5HVV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50491534
PNG
(CHEMBL2380863)
Show SMILES Cc1onc(c1-c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C16H12ClNO/c1-11-15(12-7-3-2-4-8-12)16(18-19-11)13-9-5-6-10-14(13)17/h2-10H,1H3
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Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in human whole blood assessed as inhibition of serum TXB2 level after 1 hr by radioimmunoassay


J Med Chem 56: 4277-99 (2013)


Article DOI: 10.1021/jm301905a
BindingDB Entry DOI: 10.7270/Q21V5HVV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(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 280n/an/an/an/an/an/a



University of Bari "A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by peroxidase activity-based colorimetric assay


Eur J Med Chem 74: 606-18 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.023
BindingDB Entry DOI: 10.7270/Q2SF305M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in human washed platelet assessed as inhibition of 0.5 uM arachidonic acid-induced TXB2 formation incubated for 25 mins prior to ...


J Med Chem 56: 4277-99 (2013)


Article DOI: 10.1021/jm301905a
BindingDB Entry DOI: 10.7270/Q21V5HVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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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))
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 1


(Homo sapiens (Human))
BDBM50491536
PNG
(CHEMBL2380867)
Show SMILES Cc1ccc(o1)-c1noc(C)c1-c1ccccc1
Show InChI InChI=1S/C15H13NO2/c1-10-8-9-13(17-10)15-14(11(2)18-16-15)12-6-4-3-5-7-12/h3-9H,1-2H3
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Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in human whole blood assessed as inhibition of serum TXB2 level after 1 hr by radioimmunoassay


J Med Chem 56: 4277-99 (2013)


Article DOI: 10.1021/jm301905a
BindingDB Entry DOI: 10.7270/Q21V5HVV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50491529
PNG
(CHEMBL2380876)
Show SMILES Cc1onc(-c2ccc(Br)o2)c1-c1ccccc1
Show InChI InChI=1S/C14H10BrNO2/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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Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in human whole blood assessed as inhibition of serum TXB2 level after 1 hr by radioimmunoassay


J Med Chem 56: 4277-99 (2013)


Article DOI: 10.1021/jm301905a
BindingDB Entry DOI: 10.7270/Q21V5HVV
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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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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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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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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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 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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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 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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University of Bari "A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of human platelet COX1 by whole blood assay


Eur J Med Chem 74: 606-18 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.023
BindingDB Entry DOI: 10.7270/Q2SF305M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in human whole blood assessed as inhibition of serum TXB2 level after 1 hr by radioimmunoassay


J Med Chem 56: 4277-99 (2013)


Article DOI: 10.1021/jm301905a
BindingDB Entry DOI: 10.7270/Q21V5HVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
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 580n/an/an/an/an/an/a



University of Bari "A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human OVCAR3 cells using [14C]arachidonic acid as substrate preincubated for 30 mins before substrate addition by radioactivity...


Eur J Med Chem 74: 606-18 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.023
BindingDB Entry DOI: 10.7270/Q2SF305M
More data for this
Ligand-Target Pair
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


(Homo sapiens (Human))
BDBM50491533
PNG
(CHEMBL2380864)
Show SMILES FC(F)(F)c1onc(-c2ccc(Cl)o2)c1-c1ccccc1
Show InChI InChI=1S/C14H7ClF3NO2/c15-10-7-6-9(20-10)12-11(8-4-2-1-3-5-8)13(21-19-12)14(16,17)18/h1-7H
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n/an/a 810n/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in human whole blood assessed as inhibition of serum TXB2 level after 1 hr by radioimmunoassay


J Med Chem 56: 4277-99 (2013)


Article DOI: 10.1021/jm301905a
BindingDB Entry DOI: 10.7270/Q21V5HVV
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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n/an/a 950n/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))
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



University of Bari "A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by peroxidase activity-based colorimetric assay


Eur J Med Chem 74: 606-18 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.023
BindingDB Entry DOI: 10.7270/Q2SF305M
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50491534
PNG
(CHEMBL2380863)
Show SMILES Cc1onc(c1-c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C16H12ClNO/c1-11-15(12-7-3-2-4-8-12)16(18-19-11)13-9-5-6-10-14(13)17/h2-10H,1H3
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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 COX-2 in human whole blood assessed as inhibition of LPS-induced plasma PGE2 level by radioimmunoassay


J Med Chem 56: 4277-99 (2013)


Article DOI: 10.1021/jm301905a
BindingDB Entry DOI: 10.7270/Q21V5HVV
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
PDB

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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
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