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BDBM50166283 CHEMBL192678::Methyl-5-[4-(methylsulfonyl)phenyl]-1-phenyl-1H-pyrrol-3-acetic Acid::[5-(4-Methanesulfonyl-phenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl]-acetic acid

SMILES: Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1

InChI Key: InChIKey=WJRHOGLBMOCHHB-UHFFFAOYSA-N

Data: 10 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50166283   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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PubMed
n/an/a 4.30E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA


J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 1.32E+5n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as thromboxane B2 production by RIA


J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA


J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 1 in murine J774 cells


J Med Chem 48: 3428-32 (2005)


Article DOI: 10.1021/jm049121q
BindingDB Entry DOI: 10.7270/Q2N01628
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production by RIA


J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA


J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA


J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of COX-1-mediated PGE2 production in arachidonic acid-stimulated mouse J774 cells incubated for 15 mins prior to arachidonic acid-challeng...


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 in murine J774 cells


J Med Chem 48: 3428-32 (2005)


Article DOI: 10.1021/jm049121q
BindingDB Entry DOI: 10.7270/Q2N01628
More data for this
Ligand-Target Pair