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PubMed code 12383007

Compile data set for download or QSAR
Found 100 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


(Mus musculus (Mouse))		BDBM50057618
PNG
(4-[5-(3-Methyl-4-methylsulfanyl-phenyl)-3-trifluor...)
Show SMILES CSc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O2S2/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 3.72n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057606
PNG
(4-[4-Chloro-5-(4-chloro-phenyl)-3-trifluoromethyl-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c(Cl)c1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C16H10Cl2F3N3O2S/c17-10-3-1-9(2-4-10)14-13(18)15(16(19,20)21)23-24(14)11-5-7-12(8-6-11)27(22,25)26/h1-8H,(H2,22,25,26)
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n/an/a 5.25n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057575
PNG
(4-[5-(4-Dimethylamino-3-fluoro-phenyl)-3-trifluoro...)
Show SMILES CN(C)c1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F4N4O2S/c1-25(2)15-8-3-11(9-14(15)19)16-10-17(18(20,21)22)24-26(16)12-4-6-13(7-5-12)29(23,27)28/h3-10H,1-2H3,(H2,23,27,28)
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n/an/a 5.75n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057589
PNG
(4-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 7.94n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057591
PNG
(4-[5-(4-Methylsulfanyl-phenyl)-3-trifluoromethyl-p...)
Show SMILES CSc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S2/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 8.91n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 9.33n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057527
PNG
(4-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
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n/an/a 10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057572
PNG
(4-[4-Chloro-5-(4-chloro-phenyl)-3-cyano-pyrazol-1-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(C#N)c(Cl)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H10Cl2N4O2S/c17-11-3-1-10(2-4-11)16-15(18)14(9-19)21-22(16)12-5-7-13(8-6-12)25(20,23)24/h1-8H,(H2,20,23,24)
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n/an/a 10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057560
PNG
(4-[5-(3,4-Dichloro-phenyl)-3-trifluoromethyl-pyraz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C16H10Cl2F3N3O2S/c17-12-6-1-9(7-13(12)18)14-8-15(16(19,20)21)23-24(14)10-2-4-11(5-3-10)27(22,25)26/h1-8H,(H2,22,25,26)
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n/an/a 15.1n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057573
PNG
(4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyra...)
Show SMILES CNc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N4O2S/c1-22-12-4-2-11(3-5-12)15-10-16(17(18,19)20)23-24(15)13-6-8-14(9-7-13)27(21,25)26/h2-10,22H,1H3,(H2,21,25,26)
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n/an/a 15.8n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057544
PNG
(4-[5-(3,5-Dichloro-4-methoxy-phenyl)-3-difluoromet...)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C17H13Cl2F2N3O3S/c1-27-16-12(18)6-9(7-13(16)19)15-8-14(17(20)21)23-24(15)10-2-4-11(5-3-10)28(22,25)26/h2-8,17H,1H3,(H2,22,25,26)
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n/an/a 20.9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057592
PNG
(4-[5-(2,3-Dihydro-benzofuran-5-yl)-3-trifluorometh...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2OCCc2c1)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O3S/c19-18(20,21)17-10-15(11-1-6-16-12(9-11)7-8-27-16)24(23-17)13-2-4-14(5-3-13)28(22,25)26/h1-6,9-10H,7-8H2,(H2,22,25,26)
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n/an/a 20.9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057553
PNG
(4-[5-(4-Chloro-phenyl)-4-methyl-3-trifluoromethyl-...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H13ClF3N3O2S/c1-10-15(11-2-4-12(18)5-3-11)24(23-16(10)17(19,20)21)13-6-8-14(9-7-13)27(22,25)26/h2-9H,1H3,(H2,22,25,26)
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n/an/a 21.9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057605
PNG
(4-[5-(5-Chloro-thiophen-2-yl)-3-trifluoromethyl-py...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)s1)C(F)(F)F
Show InChI InChI=1S/C14H9ClF3N3O2S2/c15-13-6-5-11(24-13)10-7-12(14(16,17)18)20-21(10)8-1-3-9(4-2-8)25(19,22)23/h1-7H,(H2,19,22,23)
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n/an/a 25.7n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057596
PNG
(4-[5-(3-Chloro-4-methoxy-phenyl)-3-difluoromethyl-...)
Show SMILES COc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25/h2-9,17H,1H3,(H2,21,24,25)
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n/an/a 26.9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057541
PNG
(4-[5-(3-Chloro-4-methylamino-phenyl)-3-trifluorome...)
Show SMILES CNc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N4O2S/c1-23-14-7-2-10(8-13(14)18)15-9-16(17(19,20)21)24-25(15)11-3-5-12(6-4-11)28(22,26)27/h2-9,23H,1H3,(H2,22,26,27)
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n/an/a 26.9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057528
PNG
(4-[5-(4-Chloro-phenyl)-4-ethyl-3-trifluoromethyl-p...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)
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n/an/a 28.2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057561
PNG
(4-[3-Benzyloxymethyl-5-(4-chloro-phenyl)-pyrazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(COCc2ccccc2)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN3O3S/c24-19-8-6-18(7-9-19)23-14-20(16-30-15-17-4-2-1-3-5-17)26-27(23)21-10-12-22(13-11-21)31(25,28)29/h1-14H,15-16H2,(H2,25,28,29)
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n/an/a 28.8n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057518
PNG
(4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)
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n/an/a 31.6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		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 39.8n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057564
PNG
(4-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
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n/an/a 40.7n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057601
PNG
(4-[5-(2-Chloro-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)
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n/an/a 56.2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057546
PNG
(4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)
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n/an/a 57.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057606
PNG
(4-[4-Chloro-5-(4-chloro-phenyl)-3-trifluoromethyl-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c(Cl)c1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C16H10Cl2F3N3O2S/c17-10-3-1-9(2-4-10)14-13(18)15(16(19,20)21)23-24(14)11-5-7-12(8-6-11)27(22,25)26/h1-8H,(H2,22,25,26)
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n/an/a 64.6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057539
PNG
(4-(5-o-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benze...)
Show SMILES Cc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-4-2-3-5-14(11)15-10-16(17(18,19)20)22-23(15)12-6-8-13(9-7-12)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 69.2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057548
PNG
(4-(4-Cyano-5-p-tolyl-pyrazol-1-yl)-benzenesulfonam...)
Show SMILES Cc1ccc(cc1)-c1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C#N
Show InChI InChI=1S/C17H14N4O2S/c1-12-2-4-13(5-3-12)17-14(10-18)11-20-21(17)15-6-8-16(9-7-15)24(19,22)23/h2-9,11H,1H3,(H2,19,22,23)
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n/an/a 75.9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057530
PNG
(4-(4-Methoxy-5-phenyl-3-trifluoromethyl-pyrazol-1-...)
Show SMILES COc1c(nn(c1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-14(11-5-3-2-4-6-11)23(22-16(15)17(18,19)20)12-7-9-13(10-8-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 79.4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057571
PNG
(4-(5-Cyclohex-1-enyl-3-trifluoromethyl-pyrazol-1-y...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1=CCCCC1)C(F)(F)F |t:17|
Show InChI InChI=1S/C16H16F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h4,6-10H,1-3,5H2,(H2,20,23,24)
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n/an/a 83.2n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057567
PNG
(4-(5-m-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benze...)
Show SMILES Cc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 110n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057525
PNG
(4-[5-(2,4-Dimethyl-phenyl)-3-trifluoromethyl-pyraz...)
Show SMILES Cc1ccc(-c2cc(nn2-c2ccc(cc2)S(N)(=O)=O)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C18H16F3N3O2S/c1-11-3-8-15(12(2)9-11)16-10-17(18(19,20)21)23-24(16)13-4-6-14(7-5-13)27(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 120n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057542
PNG
(4-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)F
Show InChI InChI=1S/C16H13F2N3O2S/c17-16(18)14-10-15(11-4-2-1-3-5-11)21(20-14)12-6-8-13(9-7-12)24(19,22)23/h1-10,16H,(H2,19,22,23)
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n/an/a 129n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057572
PNG
(4-[4-Chloro-5-(4-chloro-phenyl)-3-cyano-pyrazol-1-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(C#N)c(Cl)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H10Cl2N4O2S/c17-11-3-1-10(2-4-11)16-15(18)14(9-19)21-22(16)12-5-7-13(8-6-12)25(20,23)24/h1-8H,(H2,20,23,24)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057619
PNG
(4-Chloro-5-(4-chloro-phenyl)-1-(4-sulfamoyl-phenyl...)
Show SMILES COC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H13Cl2N3O4S/c1-26-17(23)15-14(19)16(10-2-4-11(18)5-3-10)22(21-15)12-6-8-13(9-7-12)27(20,24)25/h2-9H,1H3,(H2,20,24,25)
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n/an/a 158n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057555
PNG
(4-[5-(2-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 288n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057579
PNG
(4-[3-Cyano-5-(4-fluoro-phenyl)-pyrazol-1-yl]-benze...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C16H11FN4O2S/c17-12-3-1-11(2-4-12)16-9-13(10-18)20-21(16)14-5-7-15(8-6-14)24(19,22)23/h1-9H,(H2,19,22,23)
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n/an/a 339n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057516
PNG
(4-[5-(3,5-Difluoro-4-methoxy-phenyl)-3-difluoromet...)
Show SMILES COc1c(F)cc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C17H13F4N3O3S/c1-27-16-12(18)6-9(7-13(16)19)15-8-14(17(20)21)23-24(15)10-2-4-11(5-3-10)28(22,25)26/h2-8,17H,1H3,(H2,22,25,26)
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n/an/a 347n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057619
PNG
(4-Chloro-5-(4-chloro-phenyl)-1-(4-sulfamoyl-phenyl...)
Show SMILES COC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H13Cl2N3O4S/c1-26-17(23)15-14(19)16(10-2-4-11(18)5-3-10)22(21-15)12-6-8-13(9-7-12)27(20,24)25/h2-9H,1H3,(H2,20,24,25)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057607
PNG
(4-[5-(3,4-Dimethoxy-phenyl)-3-trifluoromethyl-pyra...)
Show SMILES COc1ccc(cc1OC)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O4S/c1-27-15-8-3-11(9-16(15)28-2)14-10-17(18(19,20)21)23-24(14)12-4-6-13(7-5-12)29(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 603n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057553
PNG
(4-[5-(4-Chloro-phenyl)-4-methyl-3-trifluoromethyl-...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H13ClF3N3O2S/c1-10-15(11-2-4-12(18)5-3-11)24(23-16(10)17(19,20)21)13-6-8-14(9-7-13)27(22,25)26/h2-9H,1H3,(H2,22,25,26)
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n/an/a 933n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057587
PNG
(4-Chloro-5-(4-chloro-phenyl)-1-(4-sulfamoyl-phenyl...)
Show SMILES NC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H12Cl2N4O3S/c17-10-3-1-9(2-4-10)15-13(18)14(16(19)23)21-22(15)11-5-7-12(8-6-11)26(20,24)25/h1-8H,(H2,19,23)(H2,20,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057592
PNG
(4-[5-(2,3-Dihydro-benzofuran-5-yl)-3-trifluorometh...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2OCCc2c1)C(F)(F)F
Show InChI InChI=1S/C18H14F3N3O3S/c19-18(20,21)17-10-15(11-1-6-16-12(9-11)7-8-27-16)24(23-17)13-2-4-14(5-3-13)28(22,25)26/h1-6,9-10H,7-8H2,(H2,22,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057591
PNG
(4-[5-(4-Methylsulfanyl-phenyl)-3-trifluoromethyl-p...)
Show SMILES CSc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S2/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057589
PNG
(4-[5-(4-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-13-6-2-11(3-7-13)15-10-16(17(18,19)20)22-23(15)12-4-8-14(9-5-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 2.57E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057574
PNG
(4-[5-(4-Nitro-phenyl)-3-trifluoromethyl-pyrazol-1-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C16H11F3N4O4S/c17-16(18,19)15-9-14(10-1-3-12(4-2-10)23(24)25)22(21-15)11-5-7-13(8-6-11)28(20,26)27/h1-9H,(H2,20,26,27)
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n/an/a 2.63E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057612
PNG
(4-[3-Difluoromethyl-5-(5-methyl-furan-2-yl)-pyrazo...)
Show SMILES Cc1ccc(o1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C15H13F2N3O3S/c1-9-2-7-14(23-9)13-8-12(15(16)17)19-20(13)10-3-5-11(6-4-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22)
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n/an/a 3.31E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057575
PNG
(4-[5-(4-Dimethylamino-3-fluoro-phenyl)-3-trifluoro...)
Show SMILES CN(C)c1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F4N4O2S/c1-25(2)15-8-3-11(9-14(15)19)16-10-17(18(20,21)22)24-26(16)12-4-6-13(7-5-12)29(23,27)28/h3-10H,1-2H3,(H2,23,27,28)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057605
PNG
(4-[5-(5-Chloro-thiophen-2-yl)-3-trifluoromethyl-py...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)s1)C(F)(F)F
Show InChI InChI=1S/C14H9ClF3N3O2S2/c15-13-6-5-11(24-13)10-7-12(14(16,17)18)20-21(10)8-1-3-9(4-2-8)25(19,22)23/h1-7H,(H2,19,22,23)
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n/an/a 4.68E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057565
PNG
(4-(4-Amino-5-phenyl-pyrazol-1-yl)-benzenesulfonami...)
Show SMILES Nc1cnn(c1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c16-14-10-18-19(15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)22(17,20)21/h1-10H,16H2,(H2,17,20,21)
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n/an/a 5.13E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057618
PNG
(4-[5-(3-Methyl-4-methylsulfanyl-phenyl)-3-trifluor...)
Show SMILES CSc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O2S2/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 6.31E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057587
PNG
(4-Chloro-5-(4-chloro-phenyl)-1-(4-sulfamoyl-phenyl...)
Show SMILES NC(=O)c1nn(c(c1Cl)-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H12Cl2N4O3S/c17-10-3-1-9(2-4-10)15-13(18)14(16(19)23)21-22(15)11-5-7-12(8-6-11)26(20,24)25/h1-8H,(H2,19,23)(H2,20,24,25)
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n/an/a 8.71E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057561
PNG
(4-[3-Benzyloxymethyl-5-(4-chloro-phenyl)-pyrazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(COCc2ccccc2)cc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN3O3S/c24-19-8-6-18(7-9-19)23-14-20(16-30-15-17-4-2-1-3-5-17)26-27(23)21-10-12-22(13-11-21)31(25,28)29/h1-14H,15-16H2,(H2,25,28,29)
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n/an/a 8.91E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057540
PNG
(4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057573
PNG
(4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyra...)
Show SMILES CNc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H15F3N4O2S/c1-22-12-4-2-11(3-5-12)15-10-16(17(18,19)20)23-24(15)13-6-8-14(9-7-13)27(21,25)26/h2-10,22H,1H3,(H2,21,25,26)
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n/an/a 1.38E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057517
PNG
(4-[5-(2-Dimethylamino-phenyl)-3-trifluoromethyl-py...)
Show SMILES CN(C)c1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3N4O2S/c1-24(2)15-6-4-3-5-14(15)16-11-17(18(19,20)21)23-25(16)12-7-9-13(10-8-12)28(22,26)27/h3-11H,1-2H3,(H2,22,26,27)
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n/an/a 1.45E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
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 1.51E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057620
PNG
(4-[5-(4-Methoxy-3-methyl-phenyl)-3-trifluoromethyl...)
Show SMILES COc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057560
PNG
(4-[5-(3,4-Dichloro-phenyl)-3-trifluoromethyl-pyraz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C16H10Cl2F3N3O2S/c17-12-6-1-9(7-13(12)18)14-8-15(16(19,20)21)23-24(14)10-2-4-11(5-3-10)27(22,25)26/h1-8H,(H2,22,25,26)
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n/an/a 1.74E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057527
PNG
(4-(5-(4-chlorophenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057567
PNG
(4-(5-m-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benze...)
Show SMILES Cc1cccc(c1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 1.82E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057521
PNG
(4-[5-(4-Chloro-phenyl)-4-methanesulfonyl-pyrazol-1...)
Show SMILES CS(=O)(=O)c1cnn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-2-4-12(17)5-3-11)13-6-8-14(9-7-13)26(18,23)24/h2-10H,1H3,(H2,18,23,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057564
PNG
(4-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
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n/an/a 2.57E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057596
PNG
(4-[5-(3-Chloro-4-methoxy-phenyl)-3-difluoromethyl-...)
Show SMILES COc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C17H14ClF2N3O3S/c1-26-16-7-2-10(8-13(16)18)15-9-14(17(19)20)22-23(15)11-3-5-12(6-4-11)27(21,24)25/h2-9,17H,1H3,(H2,21,24,25)
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n/an/a 2.75E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057617
PNG
(4-[5-(4-Cyano-phenyl)-3-difluoromethyl-pyrazol-1-y...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(F)F
Show InChI InChI=1S/C17H12F2N4O2S/c18-17(19)15-9-16(12-3-1-11(10-20)2-4-12)23(22-15)13-5-7-14(8-6-13)26(21,24)25/h1-9,17H,(H2,21,24,25)
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n/an/a 2.95E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057565
PNG
(4-(4-Amino-5-phenyl-pyrazol-1-yl)-benzenesulfonami...)
Show SMILES Nc1cnn(c1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c16-14-10-18-19(15(14)11-4-2-1-3-5-11)12-6-8-13(9-7-12)22(17,20)21/h1-10H,16H2,(H2,17,20,21)
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n/an/a 2.95E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057546
PNG
(4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C16H11F4N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)
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n/an/a 2.95E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057528
PNG
(4-[5-(4-Chloro-phenyl)-4-ethyl-3-trifluoromethyl-p...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H15ClF3N3O2S/c1-2-15-16(11-3-5-12(19)6-4-11)25(24-17(15)18(20,21)22)13-7-9-14(10-8-13)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)
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n/an/a 2.95E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057601
PNG
(4-[5-(2-Chloro-phenyl)-3-trifluoromethyl-pyrazol-1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1Cl)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057539
PNG
(4-(5-o-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benze...)
Show SMILES Cc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-4-2-3-5-14(11)15-10-16(17(18,19)20)22-23(15)12-6-8-13(9-7-12)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 3.39E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057542
PNG
(4-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)F
Show InChI InChI=1S/C16H13F2N3O2S/c17-16(18)14-10-15(11-4-2-1-3-5-11)21(20-14)12-6-8-13(9-7-12)24(19,22)23/h1-10,16H,(H2,19,22,23)
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n/an/a 3.39E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057557
PNG
(4-(5-Pyridin-3-yl-3-trifluoromethyl-pyrazol-1-yl)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2S/c16-15(17,18)14-8-13(10-2-1-7-20-9-10)22(21-14)11-3-5-12(6-4-11)25(19,23)24/h1-9H,(H2,19,23,24)
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n/an/a 4.47E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057614
PNG
(4-(5-Pyridin-2-yl-3-trifluoromethyl-pyrazol-1-yl)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2S/c16-15(17,18)14-9-13(12-3-1-2-8-20-12)22(21-14)10-4-6-11(7-5-10)25(19,23)24/h1-9H,(H2,19,23,24)
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n/an/a 4.57E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057595
PNG
(4-(4-Methyl-5-phenyl-pyrazol-1-yl)-benzenesulfonam...)
Show SMILES Cc1cnn(c1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O2S/c1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21/h2-11H,1H3,(H2,17,20,21)
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n/an/a 4.68E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057586
PNG
(4-[5-Difluoromethyl-2-(4-sulfamoyl-phenyl)-2H-pyra...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)F
Show InChI InChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26)
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n/an/a 4.68E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057521
PNG
(4-[5-(4-Chloro-phenyl)-4-methanesulfonyl-pyrazol-1...)
Show SMILES CS(=O)(=O)c1cnn(c1-c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H14ClN3O4S2/c1-25(21,22)15-10-19-20(16(15)11-2-4-12(17)5-3-11)13-6-8-14(9-7-13)26(18,23)24/h2-10H,1H3,(H2,18,23,24)
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n/an/a 5.25E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057518
PNG
(4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)
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n/an/a 5.50E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057516
PNG
(4-[5-(3,5-Difluoro-4-methoxy-phenyl)-3-difluoromet...)
Show SMILES COc1c(F)cc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C17H13F4N3O3S/c1-27-16-12(18)6-9(7-13(16)19)15-8-14(17(20)21)23-24(15)10-2-4-11(5-3-10)28(22,25)26/h2-8,17H,1H3,(H2,22,25,26)
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n/an/a 6.31E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057599
PNG
(4-(3-Methyl-5-phenyl-pyrazol-1-yl)-benzenesulfonam...)
Show SMILES Cc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O2S/c1-12-11-16(13-5-3-2-4-6-13)19(18-12)14-7-9-15(10-8-14)22(17,20)21/h2-11H,1H3,(H2,17,20,21)
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n/an/a 6.31E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057529
PNG
(4-(5-Pyridin-4-yl-3-trifluoromethyl-pyrazol-1-yl)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2S/c16-15(17,18)14-9-13(10-5-7-20-8-6-10)22(21-14)11-1-3-12(4-2-11)25(19,23)24/h1-9H,(H2,19,23,24)
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n/an/a 6.46E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057544
PNG
(4-[5-(3,5-Dichloro-4-methoxy-phenyl)-3-difluoromet...)
Show SMILES COc1c(Cl)cc(cc1Cl)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C17H13Cl2F2N3O3S/c1-27-16-12(18)6-9(7-13(16)19)15-8-14(17(20)21)23-24(15)10-2-4-11(5-3-10)28(22,25)26/h2-8,17H,1H3,(H2,22,25,26)
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n/an/a 7.76E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057541
PNG
(4-[5-(3-Chloro-4-methylamino-phenyl)-3-trifluorome...)
Show SMILES CNc1ccc(cc1Cl)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14ClF3N4O2S/c1-23-14-7-2-10(8-13(14)18)15-9-16(17(19,20)21)24-25(15)11-3-5-12(6-4-11)28(22,26)27/h2-9,23H,1H3,(H2,22,26,27)
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n/an/a 7.76E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057525
PNG
(4-[5-(2,4-Dimethyl-phenyl)-3-trifluoromethyl-pyraz...)
Show SMILES Cc1ccc(-c2cc(nn2-c2ccc(cc2)S(N)(=O)=O)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C18H16F3N3O2S/c1-11-3-8-15(12(2)9-11)16-10-17(18(19,20)21)23-24(16)13-4-6-14(7-5-13)27(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 8.13E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50057538
PNG
(4-[5-(4-Hydroxymethyl-phenyl)-3-trifluoromethyl-py...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CO)cc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)
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n/an/a 9.33E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057614
PNG
(4-(5-Pyridin-2-yl-3-trifluoromethyl-pyrazol-1-yl)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccn1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2S/c16-15(17,18)14-9-13(12-3-1-2-8-20-12)22(21-14)10-4-6-11(7-5-10)25(19,23)24/h1-9H,(H2,19,23,24)
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n/an/a 9.33E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057548
PNG
(4-(4-Cyano-5-p-tolyl-pyrazol-1-yl)-benzenesulfonam...)
Show SMILES Cc1ccc(cc1)-c1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C#N
Show InChI InChI=1S/C17H14N4O2S/c1-12-2-4-13(5-3-12)17-14(10-18)11-20-21(17)15-6-8-16(9-7-15)24(19,22)23/h2-9,11H,1H3,(H2,19,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057599
PNG
(4-(3-Methyl-5-phenyl-pyrazol-1-yl)-benzenesulfonam...)
Show SMILES Cc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O2S/c1-12-11-16(13-5-3-2-4-6-13)19(18-12)14-7-9-15(10-8-14)22(17,20)21/h2-11H,1H3,(H2,17,20,21)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057617
PNG
(4-[5-(4-Cyano-phenyl)-3-difluoromethyl-pyrazol-1-y...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C#N)C(F)F
Show InChI InChI=1S/C17H12F2N4O2S/c18-17(19)15-9-16(12-3-1-11(10-20)2-4-12)23(22-15)13-5-7-14(8-6-13)26(21,24)25/h1-9,17H,(H2,21,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057579
PNG
(4-[3-Cyano-5-(4-fluoro-phenyl)-pyrazol-1-yl]-benze...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C16H11FN4O2S/c17-12-3-1-11(2-4-12)16-9-13(10-18)20-21(16)14-5-7-15(8-6-14)24(19,22)23/h1-9H,(H2,19,22,23)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057586
PNG
(4-[5-Difluoromethyl-2-(4-sulfamoyl-phenyl)-2H-pyra...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)F
Show InChI InChI=1S/C17H13F2N3O4S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(23)24)22(21-14)12-5-7-13(8-6-12)27(20,25)26/h1-9,16H,(H,23,24)(H2,20,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057607
PNG
(4-[5-(3,4-Dimethoxy-phenyl)-3-trifluoromethyl-pyra...)
Show SMILES COc1ccc(cc1OC)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O4S/c1-27-15-8-3-11(9-16(15)28-2)14-10-17(18(19,20)21)23-24(14)12-4-6-13(7-5-12)29(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057530
PNG
(4-(4-Methoxy-5-phenyl-3-trifluoromethyl-pyrazol-1-...)
Show SMILES COc1c(nn(c1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-14(11-5-3-2-4-6-11)23(22-16(15)17(18,19)20)12-7-9-13(10-8-12)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057557
PNG
(4-(5-Pyridin-3-yl-3-trifluoromethyl-pyrazol-1-yl)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2S/c16-15(17,18)14-8-13(10-2-1-7-20-9-10)22(21-14)11-3-5-12(6-4-11)25(19,23)24/h1-9H,(H2,19,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057571
PNG
(4-(5-Cyclohex-1-enyl-3-trifluoromethyl-pyrazol-1-y...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1C1=CCCCC1)C(F)(F)F |t:17|
Show InChI InChI=1S/C16H16F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h4,6-10H,1-3,5H2,(H2,20,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057574
PNG
(4-[5-(4-Nitro-phenyl)-3-trifluoromethyl-pyrazol-1-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C16H11F3N4O4S/c17-16(18,19)15-9-14(10-1-3-12(4-2-10)23(24)25)22(21-15)11-5-7-13(8-6-11)28(20,26)27/h1-9H,(H2,20,26,27)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057517
PNG
(4-[5-(2-Dimethylamino-phenyl)-3-trifluoromethyl-py...)
Show SMILES CN(C)c1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H17F3N4O2S/c1-24(2)15-6-4-3-5-14(15)16-11-17(18(19,20)21)23-25(16)12-7-9-13(10-8-12)28(22,26)27/h3-11H,1-2H3,(H2,22,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057612
PNG
(4-[3-Difluoromethyl-5-(5-methyl-furan-2-yl)-pyrazo...)
Show SMILES Cc1ccc(o1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)F
Show InChI InChI=1S/C15H13F2N3O3S/c1-9-2-7-14(23-9)13-8-12(15(16)17)19-20(13)10-3-5-11(6-4-10)24(18,21)22/h2-8,15H,1H3,(H2,18,21,22)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057555
PNG
(4-[5-(2-Methoxy-phenyl)-3-trifluoromethyl-pyrazol-...)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c1-26-15-5-3-2-4-13(15)14-10-16(17(18,19)20)22-23(14)11-6-8-12(9-7-11)27(21,24)25/h2-10H,1H3,(H2,21,24,25)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057595
PNG
(4-(4-Methyl-5-phenyl-pyrazol-1-yl)-benzenesulfonam...)
Show SMILES Cc1cnn(c1-c1ccccc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O2S/c1-12-11-18-19(16(12)13-5-3-2-4-6-13)14-7-9-15(10-8-14)22(17,20)21/h2-11H,1H3,(H2,17,20,21)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057529
PNG
(4-(5-Pyridin-4-yl-3-trifluoromethyl-pyrazol-1-yl)-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccncc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4O2S/c16-15(17,18)14-9-13(10-5-7-20-8-6-10)22(21-14)11-1-3-12(4-2-11)25(19,23)24/h1-9H,(H2,19,23,24)
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n/an/a 2.09E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057540
PNG
(4-[2-(4-Sulfamoyl-phenyl)-5-trifluoromethyl-2H-pyr...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)
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n/an/a>2.51E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50057538
PNG
(4-[5-(4-Hydroxymethyl-phenyl)-3-trifluoromethyl-py...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CO)cc1)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)

J Med Chem 45: 4816-27 (2002)


BindingDB Entry DOI: 10.7270/Q2XP764T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%