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PubMed code 22516672

Compile data set for download or QSAR
Found 47 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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50174201
PNG
(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=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)/p-1
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n/an/a 220n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382212
PNG
(CHEMBL2024229)
Show SMILES FC(F)(F)c1nn(c(c1\C=N\c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C25H13ClF9N3/c26-17-8-6-14(7-9-17)21-20(22(25(33,34)35)37-38(21)19-4-2-1-3-5-19)13-36-18-11-15(23(27,28)29)10-16(12-18)24(30,31)32/h1-13H/b36-13+
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n/an/a 260n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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 Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382206
PNG
(CHEMBL2024222)
Show SMILES COc1ccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)cc1OC
Show InChI InChI=1S/C19H14ClF3N2O2/c1-26-15-8-3-11(10-16(15)27-2)9-14-17(12-4-6-13(20)7-5-12)24-25-18(14)19(21,22)23/h3-10H,1-2H3/b14-9+
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n/an/a 290n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382211
PNG
(CHEMBL2024228)
Show SMILES [O-][N+](=O)c1ccc(cc1)\N=C\c1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H14ClF3N4O2/c24-16-8-6-15(7-9-16)21-20(14-28-17-10-12-19(13-11-17)31(32)33)22(23(25,26)27)29-30(21)18-4-2-1-3-5-18/h1-14H/b28-14+
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n/an/a 410n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382207
PNG
(CHEMBL2024223)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H9ClF3N3O2/c18-12-6-4-11(5-7-12)15-14(16(23-22-15)17(19,20)21)9-10-2-1-3-13(8-10)24(25)26/h1-9H/b14-9+
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n/an/a 430n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344879
PNG
(2-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1nn(c(c1C=C1CCCC1=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClF3N2O/c23-16-11-9-14(10-12-16)20-18(13-15-5-4-8-19(15)29)21(22(24,25)26)27-28(20)17-6-2-1-3-7-17/h1-3,6-7,9-13H,4-5,8H2
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n/an/a 450n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344875
PNG
(3-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES CCN1CCC(=O)C(C1)=Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N3O/c1-2-30-13-12-21(32)17(15-30)14-20-22(16-8-10-18(25)11-9-16)31(19-6-4-3-5-7-19)29-23(20)24(26,27)28/h3-11,14H,2,12-13,15H2,1H3
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n/an/a 450n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382204
PNG
(CHEMBL2024220)
Show SMILES Oc1ccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H10ClF3N2O/c18-12-5-3-11(4-6-12)15-14(16(23-22-15)17(19,20)21)9-10-1-7-13(24)8-2-10/h1-9,24H/b14-9+
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n/an/a 480n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382200
PNG
(CHEMBL2024216)
Show SMILES COc1ccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1OC
Show InChI InChI=1S/C19H14ClF3O4/c1-26-15-8-3-11(10-16(15)27-2)9-14(18(25)19(21,22)23)17(24)12-4-6-13(20)7-5-12/h3-10H,1-2H3/b14-9-
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n/an/a 500n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344878
PNG
(5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-1H...)
Show SMILES FC(F)(F)c1nn(c(c1C=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C17H10ClF3N2O/c18-12-8-6-11(7-9-12)15-14(10-24)16(17(19,20)21)22-23(15)13-4-2-1-3-5-13/h1-10H
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382201
PNG
(CHEMBL2024217)
Show SMILES [O-][N+](=O)c1cccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)c1
Show InChI InChI=1S/C17H9ClF3NO4/c18-12-6-4-11(5-7-12)15(23)14(16(24)17(19,20)21)9-10-2-1-3-13(8-10)22(25)26/h1-9H/b14-9-
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n/an/a 660n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382196
PNG
(CHEMBL2024214)
Show SMILES Oc1ccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C17H10ClF3O3/c18-12-5-3-11(4-6-12)15(23)14(16(24)17(19,20)21)9-10-1-7-13(22)8-2-10/h1-9,22H/b14-9-
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382205
PNG
(CHEMBL2024221)
Show SMILES COc1ccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H12ClF3N2O/c1-25-14-8-2-11(3-9-14)10-15-16(12-4-6-13(19)7-5-12)23-24-17(15)18(20,21)22/h2-10H,1H3/b15-10+
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50174201
PNG
(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=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)/p-1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382209
PNG
(CHEMBL2024226)
Show SMILES FC(F)(F)c1nn(c(c1\C=N\c1ccc(Br)cc1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H14BrClF3N3/c24-16-8-12-18(13-9-16)29-14-20-21(15-6-10-17(25)11-7-15)31(19-4-2-1-3-5-19)30-22(20)23(26,27)28/h1-14H/b29-14+
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382199
PNG
(CHEMBL2024215)
Show SMILES COc1ccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C18H12ClF3O3/c1-25-14-8-2-11(3-9-14)10-15(17(24)18(20,21)22)16(23)12-4-6-13(19)7-5-12/h2-10H,1H3/b15-10-
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382202
PNG
(CHEMBL2024218)
Show SMILES FC(F)(F)C(=O)C(=C/c1ccco1)\C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H8ClF3O3/c16-10-5-3-9(4-6-10)13(20)12(14(21)15(17,18)19)8-11-2-1-7-22-11/h1-8H/b12-8-
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n/an/a 4.02E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382203
PNG
(CHEMBL2024219)
Show SMILES Oc1ccccc1\C=C1/C(=NN=C1C(F)(F)F)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H10ClF3N2O/c18-12-7-5-10(6-8-12)15-13(16(23-22-15)17(19,20)21)9-11-3-1-2-4-14(11)24/h1-9,24H/b13-9+
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n/an/a 4.44E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382198
PNG
(CHEMBL2021951)
Show SMILES Oc1ccccc1\C=C(\C(=O)c1ccc(Cl)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H10ClF3O3/c18-12-7-5-10(6-8-12)15(23)13(16(24)17(19,20)21)9-11-3-1-2-4-14(11)22/h1-9,22H/b13-9-
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382197
PNG
(CHEMBL2024224)
Show SMILES FC(F)(F)C1=NN=C(\C1=C/c1ccco1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H8ClF3N2O/c16-10-5-3-9(4-6-10)13-12(8-11-2-1-7-22-11)14(21-20-13)15(17,18)19/h1-8H/b12-8+
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382210
PNG
(CHEMBL2024227)
Show SMILES FC(F)(F)c1nn(c(c1\C=N\c1ccccc1Cl)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H14Cl2F3N3/c24-16-12-10-15(11-13-16)21-18(14-29-20-9-5-4-8-19(20)25)22(23(26,27)28)30-31(21)17-6-2-1-3-7-17/h1-14H/b29-14+
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382209
PNG
(CHEMBL2024226)
Show SMILES FC(F)(F)c1nn(c(c1\C=N\c1ccc(Br)cc1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H14BrClF3N3/c24-16-8-12-18(13-9-16)29-14-20-21(15-6-10-17(25)11-7-15)31(19-4-2-1-3-5-19)30-22(20)23(26,27)28/h1-14H/b29-14+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382215
PNG
(CHEMBL2024453)
Show SMILES Cc1ccc(cc1)C1CC2(N=N1)C(=O)Nc1ccc(F)cc21
Show InChI InChI=1S/C17H14FN3O/c1-10-2-4-11(5-3-10)15-9-17(21-20-15)13-8-12(18)6-7-14(13)19-16(17)22/h2-8,15H,9H2,1H3,(H,19,22)
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382203
PNG
(CHEMBL2024219)
Show SMILES Oc1ccccc1\C=C1/C(=NN=C1C(F)(F)F)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H10ClF3N2O/c18-12-7-5-10(6-8-12)15-13(16(23-22-15)17(19,20)21)9-11-3-1-2-4-14(11)24/h1-9,24H/b13-9+
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382212
PNG
(CHEMBL2024229)
Show SMILES FC(F)(F)c1nn(c(c1\C=N\c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C25H13ClF9N3/c26-17-8-6-14(7-9-17)21-20(22(25(33,34)35)37-38(21)19-4-2-1-3-5-19)13-36-18-11-15(23(27,28)29)10-16(12-18)24(30,31)32/h1-13H/b36-13+
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382214
PNG
(CHEMBL2024452)
Show SMILES Fc1ccc2NC(=O)C3(CC(N=N3)c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C16H11BrFN3O/c17-10-3-1-9(2-4-10)14-8-16(21-20-14)12-7-11(18)5-6-13(12)19-15(16)22/h1-7,14H,8H2,(H,19,22)
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382215
PNG
(CHEMBL2024453)
Show SMILES Cc1ccc(cc1)C1CC2(N=N1)C(=O)Nc1ccc(F)cc21
Show InChI InChI=1S/C17H14FN3O/c1-10-2-4-11(5-3-10)15-9-17(21-20-15)13-8-12(18)6-7-14(13)19-16(17)22/h2-8,15H,9H2,1H3,(H,19,22)
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382205
PNG
(CHEMBL2024221)
Show SMILES COc1ccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H12ClF3N2O/c1-25-14-8-2-11(3-9-14)10-15-16(12-4-6-13(19)7-5-12)23-24-17(15)18(20,21)22/h2-10H,1H3/b15-10+
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382208
PNG
(CHEMBL2024225)
Show SMILES FC(F)(F)c1[nH]nc(c1Cc1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClF3N2/c18-13-8-6-12(7-9-13)15-14(10-11-4-2-1-3-5-11)16(23-22-15)17(19,20)21/h1-9H,10H2,(H,22,23)
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382214
PNG
(CHEMBL2024452)
Show SMILES Fc1ccc2NC(=O)C3(CC(N=N3)c3ccc(Br)cc3)c2c1
Show InChI InChI=1S/C16H11BrFN3O/c17-10-3-1-9(2-4-10)14-8-16(21-20-14)12-7-11(18)5-6-13(12)19-15(16)22/h1-7,14H,8H2,(H,19,22)
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382207
PNG
(CHEMBL2024223)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H9ClF3N3O2/c18-12-6-4-11(5-7-12)15-14(16(23-22-15)17(19,20)21)9-10-2-1-3-13(8-10)24(25)26/h1-9H/b14-9+
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382213
PNG
(CHEMBL2024230)
Show SMILES FC(F)(F)c1nn(c(c1C=C(C#N)C#N)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C20H10ClF3N4/c21-15-8-6-14(7-9-15)18-17(10-13(11-25)12-26)19(20(22,23)24)27-28(18)16-4-2-1-3-5-16/h1-10H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382198
PNG
(CHEMBL2021951)
Show SMILES Oc1ccccc1\C=C(\C(=O)c1ccc(Cl)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C17H10ClF3O3/c18-12-7-5-10(6-8-12)15(23)13(16(24)17(19,20)21)9-11-3-1-2-4-14(11)22/h1-9,22H/b13-9-
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382197
PNG
(CHEMBL2024224)
Show SMILES FC(F)(F)C1=NN=C(\C1=C/c1ccco1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H8ClF3N2O/c16-10-5-3-9(4-6-10)13-12(8-11-2-1-7-22-11)14(21-20-13)15(17,18)19/h1-8H/b12-8+
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382206
PNG
(CHEMBL2024222)
Show SMILES COc1ccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)cc1OC
Show InChI InChI=1S/C19H14ClF3N2O2/c1-26-15-8-3-11(10-16(15)27-2)9-14-17(12-4-6-13(20)7-5-12)24-25-18(14)19(21,22)23/h3-10H,1-2H3/b14-9+
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382208
PNG
(CHEMBL2024225)
Show SMILES FC(F)(F)c1[nH]nc(c1Cc1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClF3N2/c18-13-8-6-12(7-9-13)15-14(10-11-4-2-1-3-5-11)16(23-22-15)17(19,20)21/h1-9H,10H2,(H,22,23)
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382211
PNG
(CHEMBL2024228)
Show SMILES [O-][N+](=O)c1ccc(cc1)\N=C\c1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H14ClF3N4O2/c24-16-8-6-15(7-9-16)21-20(14-28-17-10-12-19(13-11-17)31(32)33)22(23(25,26)27)29-30(21)18-4-2-1-3-5-18/h1-14H/b28-14+
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382213
PNG
(CHEMBL2024230)
Show SMILES FC(F)(F)c1nn(c(c1C=C(C#N)C#N)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C20H10ClF3N4/c21-15-8-6-14(7-9-15)18-17(10-13(11-25)12-26)19(20(22,23)24)27-28(18)16-4-2-1-3-5-16/h1-10H
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382201
PNG
(CHEMBL2024217)
Show SMILES [O-][N+](=O)c1cccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)c1
Show InChI InChI=1S/C17H9ClF3NO4/c18-12-6-4-11(5-7-12)15(23)14(16(24)17(19,20)21)9-10-2-1-3-13(8-10)22(25)26/h1-9H/b14-9-
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382200
PNG
(CHEMBL2024216)
Show SMILES COc1ccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1OC
Show InChI InChI=1S/C19H14ClF3O4/c1-26-15-8-3-11(10-16(15)27-2)9-14(18(25)19(21,22)23)17(24)12-4-6-13(20)7-5-12/h3-10H,1-2H3/b14-9-
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University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382196
PNG
(CHEMBL2024214)
Show SMILES Oc1ccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C17H10ClF3O3/c18-12-5-3-11(4-6-12)15(23)14(16(24)17(19,20)21)9-10-1-7-13(22)8-2-10/h1-9,22H/b14-9-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382210
PNG
(CHEMBL2024227)
Show SMILES FC(F)(F)c1nn(c(c1\C=N\c1ccccc1Cl)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H14Cl2F3N3/c24-16-12-10-15(11-13-16)21-18(14-29-20-9-5-4-8-19(20)25)22(23(26,27)28)30-31(21)17-6-2-1-3-7-17/h1-14H/b29-14+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382199
PNG
(CHEMBL2024215)
Show SMILES COc1ccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C18H12ClF3O3/c1-25-14-8-2-11(3-9-14)10-15(17(24)18(20,21)22)16(23)12-4-6-13(19)7-5-12/h2-10H,1H3/b15-10-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382202
PNG
(CHEMBL2024218)
Show SMILES FC(F)(F)C(=O)C(=C/c1ccco1)\C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H8ClF3O3/c16-10-5-3-9(4-6-10)13(20)12(14(21)15(17,18)19)8-11-2-1-7-22-11/h1-8H/b12-8-
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50382204
PNG
(CHEMBL2024220)
Show SMILES Oc1ccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H10ClF3N2O/c18-12-5-3-11(4-6-12)15-14(16(23-22-15)17(19,20)21)9-10-1-7-13(24)8-2-10/h1-9,24H/b14-9+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%