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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'chiou' and Initial = 'wf'   
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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50131047
PNG
(14-Methyl-5-oxo-5,7,8,13-tetrahydro-indolo[2',3':3...)
Show SMILES C[n+]1c2-c3[nH]c4ccccc4c3CCn2c(=O)c2ccccc12
Show InChI InChI=1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3/p+1
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PubMed
2.40E+3n/an/an/an/an/an/an/an/a



National Research Instituter of Chinese Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from alpha1 adrenoceptor in rat heart membrane


J Nat Prod 59: 374-8 (1996)


Article DOI: 10.1021/np960161+
BindingDB Entry DOI: 10.7270/Q2KD21P5
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 4n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX1 assessed as TBX2 production in human whole blood


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 36n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 300n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 330n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 340n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 380n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 440n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029593
PNG
(CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O
Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
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n/an/a 610n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371744
PNG
(CHEMBL405744)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C14H12N2O5S/c15-22(20,21)11-4-2-10(3-5-11)16-8-9-1-6-13(17)12(7-9)14(18)19/h1-8,17H,(H,18,19)(H2,15,20,21)/b16-8+
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n/an/a 740n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371748
PNG
(CHEMBL408865)
Show SMILES CN(C)c1ccc(cc1)\N=C\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N3O2S/c1-18(2)14-7-5-13(6-8-14)17-11-12-3-9-15(10-4-12)21(16,19)20/h3-11H,1-2H3,(H2,16,19,20)/b17-11+
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n/an/a 1.95E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50140278
PNG
(4-((E)-4-Amino-2-methylsulfanyl-phenylazo)-benzene...)
Show SMILES CSc1cc(N)ccc1\N=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H14N4O2S2/c1-20-13-8-9(14)2-7-12(13)17-16-10-3-5-11(6-4-10)21(15,18)19/h2-8H,14H2,1H3,(H2,15,18,19)/b17-16+
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n/an/a 2.04E+3n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371768
PNG
(CHEMBL427835)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(F)cc1
Show InChI InChI=1S/C13H11FN2O2S/c14-11-3-1-10(2-4-11)9-16-12-5-7-13(8-6-12)19(15,17)18/h1-9H,(H2,15,17,18)/b16-9+
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n/an/a 2.22E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371751
PNG
(CHEMBL270087)
Show SMILES COc1cc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc(OC)c1O
Show InChI InChI=1S/C15H16N2O5S/c1-21-13-7-10(8-14(22-2)15(13)18)9-17-11-3-5-12(6-4-11)23(16,19)20/h3-9,18H,1-2H3,(H2,16,19,20)/b17-9+
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n/an/a 2.71E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371767
PNG
(CHEMBL406434)
Show SMILES COC(=O)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H14N2O4S/c1-21-15(18)12-4-2-11(3-5-12)10-17-13-6-8-14(9-7-13)22(16,19)20/h2-10H,1H3,(H2,16,19,20)/b17-10+
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n/an/a 2.73E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371761
PNG
(CHEMBL270243)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cccc(O)c1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)13-6-4-11(5-7-13)15-9-10-2-1-3-12(16)8-10/h1-9,16H,(H2,14,17,18)/b15-9+
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n/an/a 2.78E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 2.84E+3n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX1 assessed as TBX2 production in human whole blood


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371760
PNG
(CHEMBL270263)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H12N2O4S/c14-20(18,19)11-4-2-10(3-5-11)15-8-9-1-6-12(16)13(17)7-9/h1-8,16-17H,(H2,14,18,19)/b15-8+
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n/an/a 2.85E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50229543
PNG
(4-(benzylideneamino)benzenesulfonamide | 4-benzyli...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1
Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)/b15-10+
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n/an/a 2.87E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371752
PNG
(CHEMBL404607)
Show SMILES COc1cc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC
Show InChI InChI=1S/C16H18N2O5S/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-18-12-4-6-13(7-5-12)24(17,19)20/h4-10H,1-3H3,(H2,17,19,20)/b18-10+
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n/an/a 2.93E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371759
PNG
(CHEMBL270264)
Show SMILES COc1cc(\C=N\c2ccc(cc2)S(N)(=O)=O)ccc1O
Show InChI InChI=1S/C14H14N2O4S/c1-20-14-8-10(2-7-13(14)17)9-16-11-3-5-12(6-4-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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n/an/a 2.95E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371746
PNG
(CHEMBL255175)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O4S/c14-21(19,20)13-7-3-11(4-8-13)15-9-10-1-5-12(6-2-10)16(17)18/h1-9H,(H2,14,19,20)/b15-9+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371750
PNG
(CHEMBL271832)
Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C15H16N2O4S/c1-20-14-8-3-11(9-15(14)21-2)10-17-12-4-6-13(7-5-12)22(16,18)19/h3-10H,1-2H3,(H2,16,18,19)/b17-10+
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n/an/a 3.09E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371749
PNG
(CHEMBL407019)
Show SMILES NS(=O)(=O)c1ccc(\C=N\c2ccccc2)cc1
Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-11(7-9-13)10-15-12-4-2-1-3-5-12/h1-10H,(H2,14,16,17)/b15-10+
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n/an/a 3.11E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371747
PNG
(CHEMBL446198)
Show SMILES COC(=O)c1cc(ccc1O)\N=C\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N2O5S/c1-22-15(19)13-8-11(4-7-14(13)18)17-9-10-2-5-12(6-3-10)23(16,20)21/h2-9,18H,1H3,(H2,16,20,21)/b17-9+
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n/an/a 3.13E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371765
PNG
(CHEMBL270671)
Show SMILES CN(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O2S/c1-18(2)14-7-3-12(4-8-14)11-17-13-5-9-15(10-6-13)21(16,19)20/h3-11H,1-2H3,(H2,16,19,20)/b17-11+
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n/an/a 3.36E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371743
PNG
(CHEMBL271561)
Show SMILES COc1cc(OC)cc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C15H16N2O4S/c1-20-13-7-11(8-14(9-13)21-2)10-17-12-3-5-15(6-4-12)22(16,18)19/h3-10H,1-2H3,(H2,16,18,19)/b17-10+
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n/an/a 3.40E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50229571
PNG
(4-(4-hydroxy-benzylideneamino)-benzenesulfonamide ...)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(O)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)13-7-3-11(4-8-13)15-9-10-1-5-12(16)6-2-10/h1-9,16H,(H2,14,17,18)/b15-9+
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n/an/a 3.42E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 3.49E+3n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371757
PNG
(CHEMBL270043)
Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1O
Show InChI InChI=1S/C14H14N2O4S/c1-20-14-7-2-10(8-13(14)17)9-16-11-3-5-12(6-4-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371758
PNG
(CHEMBL270256)
Show SMILES CCOc1cc(\C=N\c2ccc(cc2)S(N)(=O)=O)ccc1O
Show InChI InChI=1S/C15H16N2O4S/c1-2-21-15-9-11(3-8-14(15)18)10-17-12-4-6-13(7-5-12)22(16,19)20/h3-10,18H,2H2,1H3,(H2,16,19,20)/b17-10+
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n/an/a 3.69E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371740
PNG
(CHEMBL255174)
Show SMILES COC(=O)c1ccc(cc1)\N=C\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N2O4S/c1-21-15(18)12-4-6-13(7-5-12)17-10-11-2-8-14(9-3-11)22(16,19)20/h2-10H,1H3,(H2,16,19,20)/b17-10+
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n/an/a 3.72E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 4.12E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as effect on A-23187-stimulated TxB2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371754
PNG
(CHEMBL257489)
Show SMILES COc1ccc(cc1)\N=C\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-4-12(5-7-13)16-10-11-2-8-14(9-3-11)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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n/an/a 4.14E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371753
PNG
(CHEMBL270886)
Show SMILES COc1ccc(cc1OC)\N=C\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H16N2O4S/c1-20-14-8-5-12(9-15(14)21-2)17-10-11-3-6-13(7-4-11)22(16,18)19/h3-10H,1-2H3,(H2,16,18,19)/b17-10+
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n/an/a 4.28E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50190336
PNG
(4-((3,4-dimethoxyphenyl)diazenyl)benzenesulfonamid...)
Show SMILES COc1ccc(cc1OC)\N=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-20-13-8-5-11(9-14(13)21-2)17-16-10-3-6-12(7-4-10)22(15,18)19/h3-9H,1-2H3,(H2,15,18,19)/b17-16+
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n/an/a 4.28E+3n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371742
PNG
(CHEMBL272622)
Show SMILES NS(=O)(=O)c1ccc(\C=N\c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H11FN2O2S/c14-11-3-5-12(6-4-11)16-9-10-1-7-13(8-2-10)19(15,17)18/h1-9H,(H2,15,17,18)/b16-9+
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n/an/a 4.38E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371764
PNG
(CHEMBL270246)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2S/c15-14(16,17)11-3-1-10(2-4-11)9-19-12-5-7-13(8-6-12)22(18,20)21/h1-9H,(H2,18,20,21)/b19-9+
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n/an/a 4.60E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371756
PNG
(CHEMBL271962)
Show SMILES Cc1ccc(cc1)\N=C\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H14N2O2S/c1-11-2-6-13(7-3-11)16-10-12-4-8-14(9-5-12)19(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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n/an/a 4.62E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371763
PNG
(CHEMBL429915)
Show SMILES Cc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14N2O2S/c1-11-2-4-12(5-3-11)10-16-13-6-8-14(9-7-13)19(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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n/an/a 4.94E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371741
PNG
(CHEMBL404476)
Show SMILES NS(=O)(=O)c1ccc(\C=N\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)13-7-1-10(2-8-13)9-15-11-3-5-12(16)6-4-11/h1-9,16H,(H2,14,17,18)/b15-9+
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n/an/a 5.09E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371745
PNG
(CHEMBL271930)
Show SMILES COc1cccc(\C=N\c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C14H14N2O3S/c1-19-13-4-2-3-11(9-13)10-16-12-5-7-14(8-6-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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n/an/a 5.45E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371755
PNG
(CHEMBL271754)
Show SMILES NS(=O)(=O)c1ccc(\C=N\c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C14H11F3N2O2S/c15-14(16,17)11-3-5-12(6-4-11)19-9-10-1-7-13(8-2-10)22(18,20)21/h1-9H,(H2,18,20,21)/b19-9+
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n/an/a 6.54E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371766
PNG
(CHEMBL404921)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O4S/c14-21(19,20)13-6-4-11(5-7-13)15-9-10-2-1-3-12(8-10)16(17)18/h1-9H,(H2,14,19,20)/b15-9+
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n/an/a 6.75E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50190337
PNG
(5-{[4-(aminosulfonyl)phenyl]diazenyl}-2-hydroxyben...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)c(c1)C(O)=O |w:10.10|
Show InChI InChI=1S/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)
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n/an/a 8.89E+3n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50371762
PNG
(CHEMBL271911)
Show SMILES COc1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-19-13-6-2-11(3-7-13)10-16-12-4-8-14(9-5-12)20(15,17)18/h2-10H,1H3,(H2,15,17,18)/b16-10+
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n/an/a 9.88E+3n/an/an/an/an/an/a



Taipei Medical University

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on LPS-stimulated PGE2 production


Bioorg Med Chem 16: 2697-706 (2008)


Article DOI: 10.1016/j.bmc.2007.11.033
BindingDB Entry DOI: 10.7270/Q2CR5V6J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50190333
PNG
(2-[(phenylcarbamoyl)oxy]-4-[(E)-2-(4-sulfamoylphen...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(OC(=O)Nc2ccccc2)c(OC(=O)Nc2ccccc2)c1 |w:10.10|
Show InChI InChI=1S/C26H21N5O6S/c27-38(34,35)22-14-11-20(12-15-22)30-31-21-13-16-23(36-25(32)28-18-7-3-1-4-8-18)24(17-21)37-26(33)29-19-9-5-2-6-10-19/h1-17H,(H,28,32)(H,29,33)(H2,27,34,35)
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n/an/a 1.11E+4n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50190335
PNG
(4-((3-chloro-4-hydroxyphenyl)diazenyl)benzenesulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)c(Cl)c1 |w:10.10|
Show InChI InChI=1S/C12H10ClN3O3S/c13-11-7-9(3-6-12(11)17)16-15-8-1-4-10(5-2-8)20(14,18)19/h1-7,17H,(H2,14,18,19)
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n/an/a 1.13E+4n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50190338
PNG
(2-({[4-(propan-2-yl)phenyl]carbamoyl}oxy)-4-[(E)-2...)
Show SMILES CC(C)c1ccc(NC(=O)Oc2ccc(cc2OC(=O)Nc2ccc(cc2)C(C)C)N=Nc2ccc(cc2)S(N)(=O)=O)cc1 |w:31.33|
Show InChI InChI=1S/C32H33N5O6S/c1-20(2)22-5-9-24(10-6-22)34-31(38)42-29-18-15-27(37-36-26-13-16-28(17-14-26)44(33,40)41)19-30(29)43-32(39)35-25-11-7-23(8-12-25)21(3)4/h5-21H,1-4H3,(H,34,38)(H,35,39)(H2,33,40,41)
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n/an/a 1.24E+4n/an/an/an/an/an/a



National Research Institute of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as LPS-stimulated PGE2 production in human whole blood leukocyte


Bioorg Med Chem Lett 16: 4440-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.036
BindingDB Entry DOI: 10.7270/Q2ZS2W33
More data for this
Ligand-Target Pair
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