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Compile Data Set for Download or QSAR

Found 31 hits from Discovery Research-Dr Reddy's Laboratories Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase


(Homo sapiens (human))
BDBM50142589
PNG
(CHEMBL47638 | N-{4-[2-(4-Chloro-phenyl)-5-trifluor...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H13ClF3N3O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(19,20)21)22-24(15)14-8-4-12(18)5-9-14/h2-10,23H,1H3
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n/an/a 30n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
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 36n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(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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n/an/a 67n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142592
PNG
(CHEMBL43842 | N-{4-[2-(4-Bromo-phenyl)-5-trifluoro...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(Br)cc1)C(F)(F)F
Show InChI InChI=1S/C18H13BrF3N3O/c1-11(26)23-14-6-2-12(3-7-14)16-10-17(18(20,21)22)24-25(16)15-8-4-13(19)5-9-15/h2-10H,1H3,(H,23,26)
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n/an/a 70n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142582
PNG
(4-[2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyraz...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(18,19)20)11-2-4-12(21)5-3-11/h2-10H,21H2,1H3
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n/an/a 72n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142582
PNG
(4-[2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyraz...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(18,19)20)11-2-4-12(21)5-3-11/h2-10H,21H2,1H3
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n/an/a 129n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142583
PNG
(CHEMBL45247 | N-{4-[2-(4-Chloro-phenyl)-5-difluoro...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(F)F
Show InChI InChI=1S/C17H14ClF2N3O2S/c1-26(24,25)22-13-6-2-11(3-7-13)16-10-15(17(19)20)21-23(16)14-8-4-12(18)5-9-14/h2-10,17,22H,1H3
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n/an/a 150n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142591
PNG
(CHEMBL297788 | N-{4-[2-(4-Bromo-phenyl)-5-trifluor...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(Br)cc1)C(F)(F)F
Show InChI InChI=1S/C17H13BrF3N3O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(19,20)21)22-24(15)14-8-4-12(18)5-9-14/h2-10,23H,1H3
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n/an/a 230n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142587
PNG
(CHEMBL45387 | N-{4-[2-(4-Chloro-phenyl)-5-methyl-2...)
Show SMILES Cc1cc(-c2ccc(NS(C)(=O)=O)cc2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3O2S/c1-12-11-17(21(19-12)16-9-5-14(18)6-10-16)13-3-7-15(8-4-13)20-24(2,22)23/h3-11,20H,1-2H3
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n/an/a 265n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142586
PNG
(CHEMBL298031 | N-{4-[2-(4-Methoxy-phenyl)-5-triflu...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(NS(C)(=O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-27-15-9-7-14(8-10-15)24-16(11-17(22-24)18(19,20)21)12-3-5-13(6-4-12)23-28(2,25)26/h3-11,23H,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142580
PNG
(CHEMBL418516 | N-{4-[2-(4-Dimethylamino-phenyl)-5-...)
Show SMILES CN(C)c1ccc(cc1)-n1nc(cc1-c1ccc(NS(C)(=O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O2S/c1-25(2)15-8-10-16(11-9-15)26-17(12-18(23-26)19(20,21)22)13-4-6-14(7-5-13)24-29(3,27)28/h4-12,24H,1-3H3
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n/an/a 530n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142584
PNG
(CHEMBL47447 | N-{4-[2-(4-Bromo-phenyl)-5-methyl-2H...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(C)nn1-c1ccc(Br)cc1
Show InChI InChI=1S/C18H16BrN3O/c1-12-11-18(14-3-7-16(8-4-14)20-13(2)23)22(21-12)17-9-5-15(19)6-10-17/h3-11H,1-2H3,(H,20,23)
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n/an/a 550n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142588
PNG
(CHEMBL442548 | N-{4-[2-(4-Fluoro-phenyl)-5-trifluo...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(19,20)21)22-24(15)14-8-4-12(18)5-9-14/h2-10,23H,1H3
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n/an/a 760n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142585
PNG
(CHEMBL45331 | N-{4-[2-(4-Bromo-phenyl)-5-methyl-2H...)
Show SMILES Cc1cc(-c2ccc(NS(C)(=O)=O)cc2)n(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H16BrN3O2S/c1-12-11-17(21(19-12)16-9-5-14(18)6-10-16)13-3-7-15(8-4-13)20-24(2,22)23/h3-11,20H,1-2H3
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n/an/a 770n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142586
PNG
(CHEMBL298031 | N-{4-[2-(4-Methoxy-phenyl)-5-triflu...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(NS(C)(=O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-27-15-9-7-14(8-10-15)24-16(11-17(22-24)18(19,20)21)12-3-5-13(6-4-12)23-28(2,25)26/h3-11,23H,1-2H3
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n/an/a 960n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142581
PNG
(CHEMBL297527 | N-{4-[2-(4-Amino-phenyl)-5-trifluor...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N4O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-24(15)14-8-4-12(21)5-9-14/h2-10,23H,21H2,1H3
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n/an/a 2.64E+3n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50142590
PNG
(CHEMBL44319 | N-[4-(2-Phenyl-5-trifluoromethyl-2H-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-26(24,25)22-13-9-7-12(8-10-13)15-11-16(17(18,19)20)21-23(15)14-5-3-2-4-6-14/h2-11,22H,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142580
PNG
(CHEMBL418516 | N-{4-[2-(4-Dimethylamino-phenyl)-5-...)
Show SMILES CN(C)c1ccc(cc1)-n1nc(cc1-c1ccc(NS(C)(=O)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N4O2S/c1-25(2)15-8-10-16(11-9-15)26-17(12-18(23-26)19(20,21)22)13-4-6-14(7-5-13)24-29(3,27)28/h4-12,24H,1-3H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142592
PNG
(CHEMBL43842 | N-{4-[2-(4-Bromo-phenyl)-5-trifluoro...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(Br)cc1)C(F)(F)F
Show InChI InChI=1S/C18H13BrF3N3O/c1-11(26)23-14-6-2-12(3-7-14)16-10-17(18(20,21)22)24-25(16)15-8-4-13(19)5-9-15/h2-10H,1H3,(H,23,26)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142591
PNG
(CHEMBL297788 | N-{4-[2-(4-Bromo-phenyl)-5-trifluor...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(Br)cc1)C(F)(F)F
Show InChI InChI=1S/C17H13BrF3N3O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(19,20)21)22-24(15)14-8-4-12(18)5-9-14/h2-10,23H,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
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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n/an/a 7.81E+3n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50142593
PNG
(CHEMBL296098 | N-{4-[5-Difluoromethyl-2-(4-fluoro-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(F)cc1)C(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-26(24,25)22-13-6-2-11(3-7-13)16-10-15(17(19)20)21-23(16)14-8-4-12(18)5-9-14/h2-10,17,22H,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
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 1.07E+4n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142584
PNG
(CHEMBL47447 | N-{4-[2-(4-Bromo-phenyl)-5-methyl-2H...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(C)nn1-c1ccc(Br)cc1
Show InChI InChI=1S/C18H16BrN3O/c1-12-11-18(14-3-7-16(8-4-14)20-13(2)23)22(21-12)17-9-5-15(19)6-10-17/h3-11H,1-2H3,(H,20,23)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142589
PNG
(CHEMBL47638 | N-{4-[2-(4-Chloro-phenyl)-5-trifluor...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H13ClF3N3O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(19,20)21)22-24(15)14-8-4-12(18)5-9-14/h2-10,23H,1H3
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n/an/a 1.56E+4n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142588
PNG
(CHEMBL442548 | N-{4-[2-(4-Fluoro-phenyl)-5-trifluo...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(19,20)21)22-24(15)14-8-4-12(18)5-9-14/h2-10,23H,1H3
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n/an/a 2.03E+4n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142581
PNG
(CHEMBL297527 | N-{4-[2-(4-Amino-phenyl)-5-trifluor...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C17H15F3N4O2S/c1-27(25,26)23-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-24(15)14-8-4-12(21)5-9-14/h2-10,23H,21H2,1H3
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n/an/a 3.16E+4n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142583
PNG
(CHEMBL45247 | N-{4-[2-(4-Chloro-phenyl)-5-difluoro...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(F)F
Show InChI InChI=1S/C17H14ClF2N3O2S/c1-26(24,25)22-13-6-2-11(3-7-13)16-10-15(17(19)20)21-23(16)14-8-4-12(18)5-9-14/h2-10,17,22H,1H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142585
PNG
(CHEMBL45331 | N-{4-[2-(4-Bromo-phenyl)-5-methyl-2H...)
Show SMILES Cc1cc(-c2ccc(NS(C)(=O)=O)cc2)n(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H16BrN3O2S/c1-12-11-17(21(19-12)16-9-5-14(18)6-10-16)13-3-7-15(8-4-13)20-24(2,22)23/h3-11,20H,1-2H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142590
PNG
(CHEMBL44319 | N-[4-(2-Phenyl-5-trifluoromethyl-2H-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(nn1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-26(24,25)22-13-9-7-12(8-10-13)15-11-16(17(18,19)20)21-23(15)14-5-3-2-4-6-14/h2-11,22H,1H3
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n/an/a 8.53E+4n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50142587
PNG
(CHEMBL45387 | N-{4-[2-(4-Chloro-phenyl)-5-methyl-2...)
Show SMILES Cc1cc(-c2ccc(NS(C)(=O)=O)cc2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClN3O2S/c1-12-11-17(21(19-12)16-9-5-14(18)6-10-16)13-3-7-15(8-4-13)20-24(2,22)23/h3-11,20H,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Discovery Research-Dr Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 from the microsomal fraction of ram seminal vesicles


Bioorg Med Chem Lett 14: 1683-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.053
BindingDB Entry DOI: 10.7270/Q23N22TF
More data for this
Ligand-Target Pair