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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'oh' and Initial = 'yi'   
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))
BDBM50474740
PNG
(CHEMBL355074)
Show SMILES CCCCc1ccc(cc1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:11|
Show InChI InChI=1S/C23H26O4S/c1-5-6-7-16-8-10-17(11-9-16)20-21(27-23(2,3)22(20)24)18-12-14-19(15-13-18)28(4,25)26/h8-15H,5-7H2,1-4H3
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n/an/a 5.02n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474747
PNG
(CHEMBL167357)
Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1F)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H14F3NO4S/c1-18(2)17(23)15(9-5-10(19)7-11(20)6-9)16(26-18)13-4-3-12(8-14(13)21)27(22,24)25/h3-8H,1-2H3,(H2,22,24,25)
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n/an/a 7.55n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474743
PNG
(CHEMBL353935)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1F)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H15F2NO4S/c1-18(2)17(22)15(10-4-3-5-11(19)8-10)16(25-18)13-7-6-12(9-14(13)20)26(21,23)24/h3-9H,1-2H3,(H2,21,23,24)
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474760
PNG
(CG-100649 | CG100649 | Polmacoxib)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
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n/an/a 8.30n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474737
PNG
(CHEMBL167011)
Show SMILES CC1(C)OC(=C(C1=O)c1ccc(F)c(F)c1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H15F2NO4S/c1-18(2)17(22)15(11-5-8-13(19)14(20)9-11)16(25-18)10-3-6-12(7-4-10)26(21,23)24/h3-9H,1-2H3,(H2,21,23,24)
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n/an/a 18.5n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474742
PNG
(CHEMBL166295)
Show SMILES CC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H17NO4S/c1-18(2)17(20)15(12-6-4-3-5-7-12)16(23-18)13-8-10-14(11-9-13)24(19,21)22/h3-11H,1-2H3,(H2,19,21,22)
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50218963
PNG
(CHEMBL297626)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(Cl)c1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H17ClO4S/c1-19(2)18(21)16(13-5-4-6-14(20)11-13)17(24-19)12-7-9-15(10-8-12)25(3,22)23/h4-11H,1-3H3
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n/an/a 26.5n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474770
PNG
(CHEMBL353965)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C19H16F3NO4S/c1-18(2)17(24)15(12-4-3-5-13(10-12)19(20,21)22)16(27-18)11-6-8-14(9-7-11)28(23,25)26/h3-10H,1-2H3,(H2,23,25,26)
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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474765
PNG
(CHEMBL353959)
Show SMILES CC(=O)c1ccc(cc1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:10|
Show InChI InChI=1S/C20H19NO5S/c1-12(22)13-4-6-14(7-5-13)17-18(26-20(2,3)19(17)23)15-8-10-16(11-9-15)27(21,24)25/h4-11H,1-3H3,(H2,21,24,25)
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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474746
PNG
(CHEMBL423083)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(Cl)c1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H16ClNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
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n/an/a 37.1n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474771
PNG
(CHEMBL352602)
Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(c(F)c1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H14F3NO4S/c1-18(2)17(23)15(10-5-11(19)8-12(20)6-10)16(26-18)9-3-4-14(13(21)7-9)27(22,24)25/h3-8H,1-2H3,(H2,22,24,25)
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474766
PNG
(CHEMBL166720)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(Cl)c1)c1ccc(cc1F)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H16ClFO4S/c1-19(2)18(22)16(11-5-4-6-12(20)9-11)17(25-19)14-8-7-13(10-15(14)21)26(3,23)24/h4-10H,1-3H3
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
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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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50218973
PNG
(CHEMBL44001)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H17FO4S/c1-19(2)18(21)16(13-5-4-6-14(20)11-13)17(24-19)12-7-9-15(10-8-12)25(3,22)23/h4-11H,1-3H3
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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474741
PNG
(CHEMBL355729)
Show SMILES CCC1(CC)OC(=C(C1=O)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O |c:6|
Show InChI InChI=1S/C22H21F3O4S/c1-4-21(5-2)20(26)18(14-6-10-16(11-7-14)22(23,24)25)19(29-21)15-8-12-17(13-9-15)30(3,27)28/h6-13H,4-5H2,1-3H3
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474762
PNG
(CHEMBL166378)
Show SMILES CCC1(C)OC(=C(C1=O)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C20H18Cl2O4S/c1-4-20(2)19(23)17(13-9-14(21)11-15(22)10-13)18(26-20)12-5-7-16(8-6-12)27(3,24)25/h5-11H,4H2,1-3H3
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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50474774
PNG
(CHEMBL352430)
Show SMILES CC1(C)OC(=C(C1=O)c1ccc(Br)cc1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H17BrO4S/c1-19(2)18(21)16(12-4-8-14(20)9-5-12)17(24-19)13-6-10-15(11-7-13)25(3,22)23/h4-11H,1-3H3
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474774
PNG
(CHEMBL352430)
Show SMILES CC1(C)OC(=C(C1=O)c1ccc(Br)cc1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H17BrO4S/c1-19(2)18(21)16(12-4-8-14(20)9-5-12)17(24-19)13-6-10-15(11-7-13)25(3,22)23/h4-11H,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50218970
PNG
(CHEMBL43893)
Show SMILES CC1(C)OC(=C(C1=O)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H16Cl2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3
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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474752
PNG
(CHEMBL352329)
Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1F)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H15F3O4S/c1-19(2)18(23)16(10-6-11(20)8-12(21)7-10)17(26-19)14-5-4-13(9-15(14)22)27(3,24)25/h4-9H,1-3H3
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474772
PNG
(CHEMBL352738)
Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(c(F)c1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H15F3O4S/c1-19(2)18(23)16(11-6-12(20)9-13(21)7-11)17(26-19)10-4-5-15(14(22)8-10)27(3,24)25/h4-9H,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474733
PNG
(CHEMBL166406)
Show SMILES CCC1(C)OC(=C(C1=O)c1cccc(Cl)c1)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C20H19ClO4S/c1-4-20(2)19(22)17(14-6-5-7-15(21)12-14)18(25-20)13-8-10-16(11-9-13)26(3,23)24/h5-12H,4H2,1-3H3
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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50218967
PNG
(CHEMBL297750)
Show SMILES CC(C)c1ccc(cc1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:10|
Show InChI InChI=1S/C22H24O4S/c1-14(2)15-6-8-16(9-7-15)19-20(26-22(3,4)21(19)23)17-10-12-18(13-11-17)27(5,24)25/h6-14H,1-5H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474755
PNG
(CHEMBL355840)
Show SMILES CCC1(CC)OC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O |c:6|
Show InChI InChI=1S/C22H24O4S/c1-5-22(6-2)21(23)19(16-9-7-15(3)8-10-16)20(26-22)17-11-13-18(14-12-17)27(4,24)25/h7-14H,5-6H2,1-4H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50218959
PNG
(CHEMBL296082)
Show SMILES CC(C)c1cccc(c1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:10|
Show InChI InChI=1S/C22H24O4S/c1-14(2)16-7-6-8-17(13-16)19-20(26-22(3,4)21(19)23)15-9-11-18(12-10-15)27(5,24)25/h6-14H,1-5H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474750
PNG
(CHEMBL168086)
Show SMILES Cc1cccc(c1)C1=C(OC2(CCCC2)C1=O)c1ccc(cc1)S(C)(=O)=O |t:8|
Show InChI InChI=1S/C22H22O4S/c1-15-6-5-7-17(14-15)19-20(26-22(21(19)23)12-3-4-13-22)16-8-10-18(11-9-16)27(2,24)25/h5-11,14H,3-4,12-13H2,1-2H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474754
PNG
(CHEMBL352492)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(c(F)c1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H15F2NO4S/c1-18(2)17(22)15(10-4-3-5-12(19)8-10)16(25-18)11-6-7-14(13(20)9-11)26(21,23)24/h3-9H,1-2H3,(H2,21,23,24)
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474738
PNG
(CHEMBL167679)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1F)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(11-5-4-6-12(20)9-11)17(25-19)14-8-7-13(10-15(14)21)26(3,23)24/h4-10H,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474778
PNG
(CHEMBL352841)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(c(F)c1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(11-5-4-6-13(20)9-11)17(25-19)12-7-8-15(14(21)10-12)26(3,23)24/h4-10H,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474744
PNG
(CHEMBL353866)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)C2(CCCC2)O1)c1ccccc1 |t:11|
Show InChI InChI=1S/C21H20O4S/c1-26(23,24)17-11-9-16(10-12-17)19-18(15-7-3-2-4-8-15)20(22)21(25-19)13-5-6-14-21/h2-4,7-12H,5-6,13-14H2,1H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474735
PNG
(CHEMBL434308)
Show SMILES CC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(c(F)c1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(11-6-4-3-5-7-11)16(24-18)12-8-9-14(13(19)10-12)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474749
PNG
(CHEMBL167828)
Show SMILES CC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(cc1F)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(11-6-4-3-5-7-11)16(24-18)13-9-8-12(10-14(13)19)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474776
PNG
(CHEMBL354123)
Show SMILES CC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(cc1F)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H17FO4S/c1-19(2)18(21)16(12-7-5-4-6-8-12)17(24-19)14-10-9-13(11-15(14)20)25(3,22)23/h4-11H,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474731
PNG
(CHEMBL166627)
Show SMILES CC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(c(F)c1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H17FO4S/c1-19(2)18(21)16(12-7-5-4-6-8-12)17(24-19)13-9-10-15(14(20)11-13)25(3,22)23/h4-11H,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474739
PNG
(CHEMBL166706)
Show SMILES Cn1cc(cn1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(N)(=O)=O |t:7|
Show InChI InChI=1S/C16H17N3O4S/c1-16(2)15(20)13(11-8-18-19(3)9-11)14(23-16)10-4-6-12(7-5-10)24(17,21)22/h4-9H,1-3H3,(H2,17,21,22)
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474757
PNG
(CHEMBL352854)
Show SMILES CCC1(C)OC(=C(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C21H19F3O4S/c1-4-20(2)19(25)17(14-6-5-7-15(12-14)21(22,23)24)18(28-20)13-8-10-16(11-9-13)29(3,26)27/h5-12H,4H2,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50218962
PNG
(CHEMBL47022)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C20H17F3O4S/c1-19(2)18(24)16(13-5-4-6-14(11-13)20(21,22)23)17(27-19)12-7-9-15(10-8-12)28(3,25)26/h4-11H,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474775
PNG
(CHEMBL167696)
Show SMILES CC(C)c1ccc(cc1)C1=C(OC2(CCCC2)C1=O)c1ccc(cc1)S(C)(=O)=O |t:10|
Show InChI InChI=1S/C24H26O4S/c1-16(2)17-6-8-18(9-7-17)21-22(28-24(23(21)25)14-4-5-15-24)19-10-12-20(13-11-19)29(3,26)27/h6-13,16H,4-5,14-15H2,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474773
PNG
(CHEMBL352641)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(Cl)c1)c1ccc(c(F)c1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H16ClFO4S/c1-19(2)18(22)16(11-5-4-6-13(20)9-11)17(25-19)12-7-8-15(14(21)10-12)26(3,23)24/h4-10H,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50218965
PNG
(CHEMBL45396)
Show SMILES CC(=O)c1cccc(c1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:10|
Show InChI InChI=1S/C21H20O5S/c1-13(22)15-6-5-7-16(12-15)18-19(26-21(2,3)20(18)23)14-8-10-17(11-9-14)27(4,24)25/h5-12H,1-4H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50218964
PNG
(CHEMBL44223)
Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H16F2O4S/c1-19(2)18(22)16(12-8-13(20)10-14(21)9-12)17(25-19)11-4-6-15(7-5-11)26(3,23)24/h4-10H,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50218972
PNG
(CHEMBL298468)
Show SMILES CC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C19H18O4S/c1-19(2)18(20)16(13-7-5-4-6-8-13)17(23-19)14-9-11-15(12-10-14)24(3,21)22/h4-12H,1-3H3
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474761
PNG
(CHEMBL166773)
Show SMILES CC1(C)OC(=C(C1=O)c1ccco1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C16H15NO5S/c1-16(2)15(18)13(12-4-3-9-21-12)14(22-16)10-5-7-11(8-6-10)23(17,19)20/h3-9H,1-2H3,(H2,17,19,20)
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50474742
PNG
(CHEMBL166295)
Show SMILES CC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C18H17NO4S/c1-18(2)17(20)15(12-6-4-3-5-7-12)16(23-18)13-8-10-14(11-9-13)24(19,21)22/h3-11H,1-2H3,(H2,19,21,22)
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Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 1 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474763
PNG
(CHEMBL166473)
Show SMILES COc1cccc(c1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O |t:9|
Show InChI InChI=1S/C20H20O5S/c1-20(2)19(21)17(14-6-5-7-15(12-14)24-3)18(25-20)13-8-10-16(11-9-13)26(4,22)23/h5-12H,1-4H3
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Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474748
PNG
(CHEMBL353043)
Show SMILES CC1(C)OC(=C(C1=O)c1ccsc1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C16H15NO4S2/c1-16(2)15(18)13(11-7-8-22-9-11)14(21-16)10-3-5-12(6-4-10)23(17,19)20/h3-9H,1-2H3,(H2,17,19,20)
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AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474751
PNG
(CHEMBL166869)
Show SMILES CCC1(C)OC(=C(C1=O)c1ccccc1)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C20H20O4S/c1-4-20(2)19(21)17(14-8-6-5-7-9-14)18(24-20)15-10-12-16(13-11-15)25(3,22)23/h5-13H,4H2,1-3H3
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n/an/a 561n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474734
PNG
(CHEMBL354860)
Show SMILES CC1(C)OC(=C(C1=O)c1ccsc1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C17H16O4S2/c1-17(2)16(18)14(12-8-9-22-10-12)15(21-17)11-4-6-13(7-5-11)23(3,19)20/h4-10H,1-3H3
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n/an/a 573n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50474736
PNG
(CHEMBL351154)
Show SMILES CC1(C)OC(=C(C1=O)c1ccco1)c1ccc(cc1)S(C)(=O)=O |c:4|
Show InChI InChI=1S/C17H16O5S/c1-17(2)16(18)14(13-5-4-10-21-13)15(22-17)11-6-8-12(9-7-11)23(3,19)20/h4-10H,1-3H3
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PC sid
UniChem
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n/an/a 601n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair
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