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PubMed code 24751552

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostaglandin G/H synthase 2


(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 40n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(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 6.25E+3n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50014170
PNG
(CHEMBL3260869)
Show SMILES Clc1cccc(NCn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)c1
Show InChI InChI=1S/C22H17Cl3N4OS/c23-15-6-3-7-16(12-15)26-13-29-22(31)30-20(28-29)11-14-5-1-2-10-19(14)27-21-17(24)8-4-9-18(21)25/h1-10,12,26-27H,11,13H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50014168
PNG
(CHEMBL3260867)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CNC2CCCCC2)c(=S)o1
Show InChI InChI=1S/C22H24Cl2N4OS/c23-17-10-6-11-18(24)21(17)26-19-12-5-4-7-15(19)13-20-27-28(22(30)29-20)14-25-16-8-2-1-3-9-16/h4-7,10-12,16,25-26H,1-3,8-9,13-14H2
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n/an/a 1.05E+4n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50014167
PNG
(CHEMBL3260864)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCNCC2)c(=S)o1
Show InChI InChI=1S/C20H21Cl2N5OS/c21-15-5-3-6-16(22)19(15)24-17-7-2-1-4-14(17)12-18-25-27(20(29)28-18)13-26-10-8-23-9-11-26/h1-7,23-24H,8-13H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50014166
PNG
(CHEMBL3260863)
Show SMILES CCN1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1
Show InChI InChI=1S/C22H25Cl2N5OS/c1-2-27-10-12-28(13-11-27)15-29-22(31)30-20(26-29)14-16-6-3-4-9-19(16)25-21-17(23)7-5-8-18(21)24/h3-9,25H,2,10-15H2,1H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50014169
PNG
(CHEMBL3260868)
Show SMILES Clc1ccccc1NCn1nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)oc1=S
Show InChI InChI=1S/C22H17Cl3N4OS/c23-15-7-2-4-11-19(15)26-13-29-22(31)30-20(28-29)12-14-6-1-3-10-18(14)27-21-16(24)8-5-9-17(21)25/h1-11,26-27H,12-13H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.40E+4n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50014165
PNG
(CHEMBL3260862)
Show SMILES CN1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1
Show InChI InChI=1S/C21H23Cl2N5OS/c1-26-9-11-27(12-10-26)14-28-21(30)29-19(25-28)13-15-5-2-3-8-18(15)24-20-16(22)6-4-7-17(20)23/h2-8,24H,9-14H2,1H3
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n/an/a 1.45E+4n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(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 1.50E+4n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50014163
PNG
(CHEMBL3260860)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCCCC2)c(=S)o1
Show InChI InChI=1S/C21H22Cl2N4OS/c22-16-8-6-9-17(23)20(16)24-18-10-3-2-7-15(18)13-19-25-27(21(29)28-19)14-26-11-4-1-5-12-26/h2-3,6-10,24H,1,4-5,11-14H2
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K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50014162
PNG
(CHEMBL3260859)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCOCC2)c(=S)o1
Show InChI InChI=1S/C20H20Cl2N4O2S/c21-15-5-3-6-16(22)19(15)23-17-7-2-1-4-14(17)12-18-24-26(20(29)28-18)13-25-8-10-27-11-9-25/h1-7,23H,8-13H2
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K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50014169
PNG
(CHEMBL3260868)
Show SMILES Clc1ccccc1NCn1nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)oc1=S
Show InChI InChI=1S/C22H17Cl3N4OS/c23-15-7-2-4-11-19(15)26-13-29-22(31)30-20(28-29)12-14-6-1-3-10-18(14)27-21-16(24)8-5-9-17(21)25/h1-11,26-27H,12-13H2
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K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50014170
PNG
(CHEMBL3260869)
Show SMILES Clc1cccc(NCn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)c1
Show InChI InChI=1S/C22H17Cl3N4OS/c23-15-6-3-7-16(12-15)26-13-29-22(31)30-20(28-29)11-14-5-1-2-10-19(14)27-21-17(24)8-4-9-18(21)25/h1-10,12,26-27H,11,13H2
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K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50014168
PNG
(CHEMBL3260867)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CNC2CCCCC2)c(=S)o1
Show InChI InChI=1S/C22H24Cl2N4OS/c23-17-10-6-11-18(24)21(17)26-19-12-5-4-7-15(19)13-20-27-28(22(30)29-20)14-25-16-8-2-1-3-9-16/h4-7,10-12,16,25-26H,1-3,8-9,13-14H2
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K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50014165
PNG
(CHEMBL3260862)
Show SMILES CN1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1
Show InChI InChI=1S/C21H23Cl2N5OS/c1-26-9-11-27(12-10-26)14-28-21(30)29-19(25-28)13-15-5-2-3-8-18(15)24-20-16(22)6-4-7-17(20)23/h2-8,24H,9-14H2,1H3
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K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50014163
PNG
(CHEMBL3260860)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCCCC2)c(=S)o1
Show InChI InChI=1S/C21H22Cl2N4OS/c22-16-8-6-9-17(23)20(16)24-18-10-3-2-7-15(18)13-19-25-27(21(29)28-19)14-26-11-4-1-5-12-26/h2-3,6-10,24H,1,4-5,11-14H2
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K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50014166
PNG
(CHEMBL3260863)
Show SMILES CCN1CCN(Cn2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)oc2=S)CC1
Show InChI InChI=1S/C22H25Cl2N5OS/c1-2-27-10-12-28(13-11-27)15-29-22(31)30-20(26-29)14-16-6-3-4-9-19(16)25-21-17(23)7-5-8-18(21)24/h3-9,25H,2,10-15H2,1H3
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K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50014162
PNG
(CHEMBL3260859)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCOCC2)c(=S)o1
Show InChI InChI=1S/C20H20Cl2N4O2S/c21-15-5-3-6-16(22)19(15)23-17-7-2-1-4-14(17)12-18-24-26(20(29)28-18)13-25-8-10-27-11-9-25/h1-7,23H,8-13H2
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K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50014167
PNG
(CHEMBL3260864)
Show SMILES Clc1cccc(Cl)c1Nc1ccccc1Cc1nn(CN2CCNCC2)c(=S)o1
Show InChI InChI=1S/C20H21Cl2N5OS/c21-15-5-3-6-16(22)19(15)24-17-7-2-1-4-14(17)12-18-25-27(20(29)28-18)13-26-10-8-23-9-11-26/h1-7,23-24H,8-13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



K.L.E.U's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 peroxidase activity assessed as reduction of PGG2 to PGH2 by measuring oxidized TMPD level by colorimetric assay

Bioorg Med Chem 22: 2855-66 (2014)


Article DOI: 10.1016/j.bmc.2014.03.043
BindingDB Entry DOI: 10.7270/Q26H4JXW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%