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PubMed code 21349729

Compile data set for download or QSAR
Found 44 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 50n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50056999
PNG
(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
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n/an/a 400n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338759
PNG
(CHEMBL1684385 | Ethyl 4-(benzyloxy)-3-((3-(4-metho...)
Show SMILES CCOC(=O)c1ccc(OCc2ccccc2)c(NS(=O)(=O)Cc2cccc(c2)C2(CCOCC2)OC)c1
Show InChI InChI=1S/C29H33NO7S/c1-3-36-28(31)24-12-13-27(37-20-22-8-5-4-6-9-22)26(19-24)30-38(32,33)21-23-10-7-11-25(18-23)29(34-2)14-16-35-17-15-29/h4-13,18-19,30H,3,14-17,20-21H2,1-2H3
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n/an/a 970n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338758
PNG
(CHEMBL1684384 | N-(2-(benzyloxy)-4-nitrophenyl)-1-...)
Show SMILES COC1(CCOCC1)c1cccc(CS(=O)(=O)Nc2ccc(cc2OCc2ccccc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C26H28N2O7S/c1-33-26(12-14-34-15-13-26)22-9-5-8-21(16-22)19-36(31,32)27-24-11-10-23(28(29)30)17-25(24)35-18-20-6-3-2-4-7-20/h2-11,16-17,27H,12-15,18-19H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338754
PNG
(CHEMBL1684380 | N-(2-(Benzyloxy)phenyl)-1-(3-(4-me...)
Show SMILES COC1(CCOCC1)c1cccc(CS(=O)(=O)Nc2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H29NO5S/c1-30-26(14-16-31-17-15-26)23-11-7-10-22(18-23)20-33(28,29)27-24-12-5-6-13-25(24)32-19-21-8-3-2-4-9-21/h2-13,18,27H,14-17,19-20H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338756
PNG
(CHEMBL1684382 | N-(2-(Benzyloxy)-5-chlorophenyl)-1...)
Show SMILES COC1(CCOCC1)c1cccc(CS(=O)(=O)Nc2cc(Cl)ccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H28ClNO5S/c1-31-26(12-14-32-15-13-26)22-9-5-8-21(16-22)19-34(29,30)28-24-17-23(27)10-11-25(24)33-18-20-6-3-2-4-7-20/h2-11,16-17,28H,12-15,18-19H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338755
PNG
(CHEMBL1684381 | N-(2-(Benzyloxy)-4-chlorophenyl)-1...)
Show SMILES COC1(CCOCC1)c1cccc(CS(=O)(=O)Nc2ccc(Cl)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H28ClNO5S/c1-31-26(12-14-32-15-13-26)22-9-5-8-21(16-22)19-34(29,30)28-24-11-10-23(27)17-25(24)33-18-20-6-3-2-4-7-20/h2-11,16-17,28H,12-15,18-19H2,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338757
PNG
(CHEMBL1684383 | N-(2-(Benzyloxy)-5-methylphenyl)-1...)
Show SMILES COC1(CCOCC1)c1cccc(CS(=O)(=O)Nc2cc(C)ccc2OCc2ccccc2)c1
Show InChI InChI=1S/C27H31NO5S/c1-21-11-12-26(33-19-22-7-4-3-5-8-22)25(17-21)28-34(29,30)20-23-9-6-10-24(18-23)27(31-2)13-15-32-16-14-27/h3-12,17-18,28H,13-16,19-20H2,1-2H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50056999
PNG
(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338758
PNG
(CHEMBL1684384 | N-(2-(benzyloxy)-4-nitrophenyl)-1-...)
Show SMILES COC1(CCOCC1)c1cccc(CS(=O)(=O)Nc2ccc(cc2OCc2ccccc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C26H28N2O7S/c1-33-26(12-14-34-15-13-26)22-9-5-8-21(16-22)19-36(31,32)27-24-11-10-23(28(29)30)17-25(24)35-18-20-6-3-2-4-7-20/h2-11,16-17,27H,12-15,18-19H2,1H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
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 8.10E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338759
PNG
(CHEMBL1684385 | Ethyl 4-(benzyloxy)-3-((3-(4-metho...)
Show SMILES CCOC(=O)c1ccc(OCc2ccccc2)c(NS(=O)(=O)Cc2cccc(c2)C2(CCOCC2)OC)c1
Show InChI InChI=1S/C29H33NO7S/c1-3-36-28(31)24-12-13-27(37-20-22-8-5-4-6-9-22)26(19-24)30-38(32,33)21-23-10-7-11-25(18-23)29(34-2)14-16-35-17-15-29/h4-13,18-19,30H,3,14-17,20-21H2,1-2H3
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n/an/a 1.16E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338764
PNG
(CHEMBL1684390 | N-(2-(benzyloxy)-4-nitrophenyl)-N-...)
Show SMILES COC1(CCOCC1)c1cccc(CN(c2ccc(cc2OCc2ccccc2)[N+]([O-])=O)S(C)(=O)=O)c1
Show InChI InChI=1S/C27H30N2O7S/c1-34-27(13-15-35-16-14-27)23-10-6-9-22(17-23)19-28(37(2,32)33)25-12-11-24(29(30)31)18-26(25)36-20-21-7-4-3-5-8-21/h3-12,17-18H,13-16,19-20H2,1-2H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338754
PNG
(CHEMBL1684380 | N-(2-(Benzyloxy)phenyl)-1-(3-(4-me...)
Show SMILES COC1(CCOCC1)c1cccc(CS(=O)(=O)Nc2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H29NO5S/c1-30-26(14-16-31-17-15-26)23-11-7-10-22(18-23)20-33(28,29)27-24-12-5-6-13-25(24)32-19-21-8-3-2-4-9-21/h2-13,18,27H,14-17,19-20H2,1H3
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n/an/a 1.48E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338756
PNG
(CHEMBL1684382 | N-(2-(Benzyloxy)-5-chlorophenyl)-1...)
Show SMILES COC1(CCOCC1)c1cccc(CS(=O)(=O)Nc2cc(Cl)ccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H28ClNO5S/c1-31-26(12-14-32-15-13-26)22-9-5-8-21(16-22)19-34(29,30)28-24-17-23(27)10-11-25(24)33-18-20-6-3-2-4-7-20/h2-11,16-17,28H,12-15,18-19H2,1H3
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n/an/a 1.56E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338757
PNG
(CHEMBL1684383 | N-(2-(Benzyloxy)-5-methylphenyl)-1...)
Show SMILES COC1(CCOCC1)c1cccc(CS(=O)(=O)Nc2cc(C)ccc2OCc2ccccc2)c1
Show InChI InChI=1S/C27H31NO5S/c1-21-11-12-26(33-19-22-7-4-3-5-8-22)25(17-21)28-34(29,30)20-23-9-6-10-24(18-23)27(31-2)13-15-32-16-14-27/h3-12,17-18,28H,13-16,19-20H2,1-2H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338755
PNG
(CHEMBL1684381 | N-(2-(Benzyloxy)-4-chlorophenyl)-1...)
Show SMILES COC1(CCOCC1)c1cccc(CS(=O)(=O)Nc2ccc(Cl)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H28ClNO5S/c1-31-26(12-14-32-15-13-26)22-9-5-8-21(16-22)19-34(29,30)28-24-11-10-23(27)17-25(24)33-18-20-6-3-2-4-7-20/h2-11,16-17,28H,12-15,18-19H2,1H3
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n/an/a 2.44E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338766
PNG
(2-(Benzyloxy)-4-chloro-N-(3-(4-methoxytetrahydro-2...)
Show SMILES COC1(CCOCC1)c1cccc(CNc2ccc(Cl)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H28ClNO3/c1-29-26(12-14-30-15-13-26)22-9-5-8-21(16-22)18-28-24-11-10-23(27)17-25(24)31-19-20-6-3-2-4-7-20/h2-11,16-17,28H,12-15,18-19H2,1H3
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n/an/a 3.46E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338773
PNG
(CHEMBL1684399 | Ethyl 3-(benzyloxy)-4-(3-(4-methox...)
Show SMILES CCOC(=O)c1ccc(OCc2cccc(c2)C2(CCOCC2)OC)c(OCc2ccccc2)c1
Show InChI InChI=1S/C29H32O6/c1-3-33-28(30)24-12-13-26(27(19-24)35-20-22-8-5-4-6-9-22)34-21-23-10-7-11-25(18-23)29(31-2)14-16-32-17-15-29/h4-13,18-19H,3,14-17,20-21H2,1-2H3
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n/an/a 3.88E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338773
PNG
(CHEMBL1684399 | Ethyl 3-(benzyloxy)-4-(3-(4-methox...)
Show SMILES CCOC(=O)c1ccc(OCc2cccc(c2)C2(CCOCC2)OC)c(OCc2ccccc2)c1
Show InChI InChI=1S/C29H32O6/c1-3-33-28(30)24-12-13-26(27(19-24)35-20-22-8-5-4-6-9-22)34-21-23-10-7-11-25(18-23)29(31-2)14-16-32-17-15-29/h4-13,18-19H,3,14-17,20-21H2,1-2H3
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n/an/a 4.42E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338769
PNG
(2-(benzyloxy)-N-(3-(4-methoxytetrahydro-2H-pyran-4...)
Show SMILES COC1(CCOCC1)c1cccc(CNc2ccc(cc2OCc2ccccc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C26H28N2O5/c1-31-26(12-14-32-15-13-26)22-9-5-8-21(16-22)18-27-24-11-10-23(28(29)30)17-25(24)33-19-20-6-3-2-4-7-20/h2-11,16-17,27H,12-15,18-19H2,1H3
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n/an/a 8.88E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338760
PNG
(CHEMBL1684386 | N-(2-(Benzyloxy)phenyl)-N-(3-(4-me...)
Show SMILES COC1(CCOCC1)c1cccc(CN(c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C27H31NO5S/c1-31-27(15-17-32-18-16-27)24-12-8-11-23(19-24)20-28(34(2,29)30)25-13-6-7-14-26(25)33-21-22-9-4-3-5-10-22/h3-14,19H,15-18,20-21H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338772
PNG
(4-(3-((2-(Benzyloxy)-4-bromophenoxy)methyl)phenyl)...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccc(Br)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H27BrO4/c1-28-26(12-14-29-15-13-26)22-9-5-8-21(16-22)19-30-24-11-10-23(27)17-25(24)31-18-20-6-3-2-4-7-20/h2-11,16-17H,12-15,18-19H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338765
PNG
(2-(Benzyloxy)-N-(3-(4-methoxytetrahydro-2H-pyran-4...)
Show SMILES COC1(CCOCC1)c1cccc(CNc2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H29NO3/c1-28-26(14-16-29-17-15-26)23-11-7-10-22(18-23)19-27-24-12-5-6-13-25(24)30-20-21-8-3-2-4-9-21/h2-13,18,27H,14-17,19-20H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338771
PNG
(4-(3-((2-(Benzyloxy)-4-chlorophenoxy)methyl)phenyl...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccc(Cl)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H27ClO4/c1-28-26(12-14-29-15-13-26)22-9-5-8-21(16-22)19-30-24-11-10-23(27)17-25(24)31-18-20-6-3-2-4-7-20/h2-11,16-17H,12-15,18-19H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338769
PNG
(2-(benzyloxy)-N-(3-(4-methoxytetrahydro-2H-pyran-4...)
Show SMILES COC1(CCOCC1)c1cccc(CNc2ccc(cc2OCc2ccccc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C26H28N2O5/c1-31-26(12-14-32-15-13-26)22-9-5-8-21(16-22)18-27-24-11-10-23(28(29)30)17-25(24)33-19-20-6-3-2-4-7-20/h2-11,16-17,27H,12-15,18-19H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338767
PNG
(2-(Benzyloxy)-5-chloro-N-(3-(4-methoxytetrahydro-2...)
Show SMILES COC1(CCOCC1)c1cccc(CNc2cc(Cl)ccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H28ClNO3/c1-29-26(12-14-30-15-13-26)22-9-5-8-21(16-22)18-28-24-17-23(27)10-11-25(24)31-19-20-6-3-2-4-7-20/h2-11,16-17,28H,12-15,18-19H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338762
PNG
(CHEMBL1684388 | N-(2-(Benzyloxy)-5-chlorophenyl)-N...)
Show SMILES COC1(CCOCC1)c1cccc(CN(c2cc(Cl)ccc2OCc2ccccc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C27H30ClNO5S/c1-32-27(13-15-33-16-14-27)23-10-6-9-22(17-23)19-29(35(2,30)31)25-18-24(28)11-12-26(25)34-20-21-7-4-3-5-8-21/h3-12,17-18H,13-16,19-20H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338765
PNG
(2-(Benzyloxy)-N-(3-(4-methoxytetrahydro-2H-pyran-4...)
Show SMILES COC1(CCOCC1)c1cccc(CNc2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H29NO3/c1-28-26(14-16-29-17-15-26)23-11-7-10-22(18-23)19-27-24-12-5-6-13-25(24)30-20-21-8-3-2-4-9-21/h2-13,18,27H,14-17,19-20H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338763
PNG
(CHEMBL1684389 | N-(2-(Benzyloxy)-5-methylphenyl)-N...)
Show SMILES COC1(CCOCC1)c1cccc(CN(c2cc(C)ccc2OCc2ccccc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C28H33NO5S/c1-22-12-13-27(34-21-23-8-5-4-6-9-23)26(18-22)29(35(3,30)31)20-24-10-7-11-25(19-24)28(32-2)14-16-33-17-15-28/h4-13,18-19H,14-17,20-21H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338768
PNG
(2-(Benzyloxy)-N-(3-(4-methoxytetrahydro-2H-pyran-4...)
Show SMILES COC1(CCOCC1)c1cccc(CNc2cc(C)ccc2OCc2ccccc2)c1
Show InChI InChI=1S/C27H31NO3/c1-21-11-12-26(31-20-22-7-4-3-5-8-22)25(17-21)28-19-23-9-6-10-24(18-23)27(29-2)13-15-30-16-14-27/h3-12,17-18,28H,13-16,19-20H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338761
PNG
(CHEMBL1684387 | N-(2-(Benzyloxy)-4-chlorophenyl)-N...)
Show SMILES COC1(CCOCC1)c1cccc(CN(c2ccc(Cl)cc2OCc2ccccc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C27H30ClNO5S/c1-32-27(13-15-33-16-14-27)23-10-6-9-22(17-23)19-29(35(2,30)31)25-12-11-24(28)18-26(25)34-20-21-7-4-3-5-8-21/h3-12,17-18H,13-16,19-20H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338772
PNG
(4-(3-((2-(Benzyloxy)-4-bromophenoxy)methyl)phenyl)...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccc(Br)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H27BrO4/c1-28-26(12-14-29-15-13-26)22-9-5-8-21(16-22)19-30-24-11-10-23(27)17-25(24)31-18-20-6-3-2-4-7-20/h2-11,16-17H,12-15,18-19H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338764
PNG
(CHEMBL1684390 | N-(2-(benzyloxy)-4-nitrophenyl)-N-...)
Show SMILES COC1(CCOCC1)c1cccc(CN(c2ccc(cc2OCc2ccccc2)[N+]([O-])=O)S(C)(=O)=O)c1
Show InChI InChI=1S/C27H30N2O7S/c1-34-27(13-15-35-16-14-27)23-10-6-9-22(17-23)19-28(37(2,32)33)25-12-11-24(29(30)31)18-26(25)36-20-21-7-4-3-5-8-21/h3-12,17-18H,13-16,19-20H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338770
PNG
(4-(3-((2-(Benzyloxy)phenoxy)methyl)phenyl)-4-metho...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H28O4/c1-27-26(14-16-28-17-15-26)23-11-7-10-22(18-23)20-30-25-13-6-5-12-24(25)29-19-21-8-3-2-4-9-21/h2-13,18H,14-17,19-20H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338762
PNG
(CHEMBL1684388 | N-(2-(Benzyloxy)-5-chlorophenyl)-N...)
Show SMILES COC1(CCOCC1)c1cccc(CN(c2cc(Cl)ccc2OCc2ccccc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C27H30ClNO5S/c1-32-27(13-15-33-16-14-27)23-10-6-9-22(17-23)19-29(35(2,30)31)25-18-24(28)11-12-26(25)34-20-21-7-4-3-5-8-21/h3-12,17-18H,13-16,19-20H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338766
PNG
(2-(Benzyloxy)-4-chloro-N-(3-(4-methoxytetrahydro-2...)
Show SMILES COC1(CCOCC1)c1cccc(CNc2ccc(Cl)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H28ClNO3/c1-29-26(12-14-30-15-13-26)22-9-5-8-21(16-22)18-28-24-11-10-23(27)17-25(24)31-19-20-6-3-2-4-7-20/h2-11,16-17,28H,12-15,18-19H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338763
PNG
(CHEMBL1684389 | N-(2-(Benzyloxy)-5-methylphenyl)-N...)
Show SMILES COC1(CCOCC1)c1cccc(CN(c2cc(C)ccc2OCc2ccccc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C28H33NO5S/c1-22-12-13-27(34-21-23-8-5-4-6-9-23)26(18-22)29(35(3,30)31)20-24-10-7-11-25(19-24)28(32-2)14-16-33-17-15-28/h4-13,18-19H,14-17,20-21H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338761
PNG
(CHEMBL1684387 | N-(2-(Benzyloxy)-4-chlorophenyl)-N...)
Show SMILES COC1(CCOCC1)c1cccc(CN(c2ccc(Cl)cc2OCc2ccccc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C27H30ClNO5S/c1-32-27(13-15-33-16-14-27)23-10-6-9-22(17-23)19-29(35(2,30)31)25-12-11-24(28)18-26(25)34-20-21-7-4-3-5-8-21/h3-12,17-18H,13-16,19-20H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338760
PNG
(CHEMBL1684386 | N-(2-(Benzyloxy)phenyl)-N-(3-(4-me...)
Show SMILES COC1(CCOCC1)c1cccc(CN(c2ccccc2OCc2ccccc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C27H31NO5S/c1-31-27(15-17-32-18-16-27)24-12-8-11-23(19-24)20-28(34(2,29)30)25-13-6-7-14-26(25)33-21-22-9-4-3-5-10-22/h3-14,19H,15-18,20-21H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338771
PNG
(4-(3-((2-(Benzyloxy)-4-chlorophenoxy)methyl)phenyl...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccc(Cl)cc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H27ClO4/c1-28-26(12-14-29-15-13-26)22-9-5-8-21(16-22)19-30-24-11-10-23(27)17-25(24)31-18-20-6-3-2-4-7-20/h2-11,16-17H,12-15,18-19H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338768
PNG
(2-(Benzyloxy)-N-(3-(4-methoxytetrahydro-2H-pyran-4...)
Show SMILES COC1(CCOCC1)c1cccc(CNc2cc(C)ccc2OCc2ccccc2)c1
Show InChI InChI=1S/C27H31NO3/c1-21-11-12-26(31-20-22-7-4-3-5-8-22)25(17-21)28-19-23-9-6-10-24(18-23)27(29-2)13-15-30-16-14-27/h3-12,17-18,28H,13-16,19-20H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50338770
PNG
(4-(3-((2-(Benzyloxy)phenoxy)methyl)phenyl)-4-metho...)
Show SMILES COC1(CCOCC1)c1cccc(COc2ccccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H28O4/c1-27-26(14-16-28-17-15-26)23-11-7-10-22(18-23)20-30-25-13-6-5-12-24(25)29-19-21-8-3-2-4-9-21/h2-13,18H,14-17,19-20H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50338767
PNG
(2-(Benzyloxy)-5-chloro-N-(3-(4-methoxytetrahydro-2...)
Show SMILES COC1(CCOCC1)c1cccc(CNc2cc(Cl)ccc2OCc2ccccc2)c1
Show InChI InChI=1S/C26H28ClNO3/c1-29-26(12-14-30-15-13-26)22-9-5-8-21(16-22)18-28-24-17-23(27)10-11-25(24)31-19-20-6-3-2-4-7-20/h2-11,16-17,28H,12-15,18-19H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha level by EIA


Bioorg Med Chem 19: 2074-83 (2011)


Article DOI: 10.1016/j.bmc.2011.01.043
BindingDB Entry DOI: 10.7270/Q2GF0TSP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%