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8 similar compounds to monomer 50422576

Compile data set for download or QSAR
Wt: 410.8
BDBM50422572
Wt: 406.4
BDBM50422574
Wt: 376.4
BDBM50422575
Wt: 390.4
BDBM50422581
Wt: 426.4
BDBM50422583
Wt: 445.3
BDBM50422585
Wt: 394.4
BDBM50422589
Wt: 410.8
BDBM50422592

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50422572,50422574,50422575,50422581,50422583,50422585,50422589,50422592   
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))
BDBM50422572
PNG
(CHEMBL336206)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15ClO4S/c1-28(25,26)17-12-8-15(9-13-17)22-20(14-6-10-16(23)11-7-14)21(24)18-4-2-3-5-19(18)27-22/h2-13H,1H3
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n/an/a 3.39E+5n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 4005-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.059
BindingDB Entry DOI: 10.7270/Q2C24XQT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422585
PNG
(CHEMBL134628)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H14Cl2O4S/c1-29(26,27)15-9-6-13(7-10-15)22-20(14-8-11-17(23)18(24)12-14)21(25)16-4-2-3-5-19(16)28-22/h2-12H,1H3
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n/an/a 269n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50422575
PNG
(CHEMBL133659)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C22H16O4S/c1-27(24,25)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)26-22/h2-14H,1H3
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n/an/a 9.33E+5n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 4005-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.059
BindingDB Entry DOI: 10.7270/Q2C24XQT
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50422581
PNG
(CHEMBL336354)
Show SMILES Cc1ccccc1-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H18O4S/c1-15-7-3-4-8-18(15)21-22(24)19-9-5-6-10-20(19)27-23(21)16-11-13-17(14-12-16)28(2,25)26/h3-14H,1-2H3
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n/an/a 9.55E+5n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 4005-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.059
BindingDB Entry DOI: 10.7270/Q2C24XQT
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50422583
PNG
(CHEMBL134774)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc2ccccc12
Show InChI InChI=1S/C26H18O4S/c1-31(28,29)19-15-13-18(14-16-19)26-24(25(27)22-10-4-5-12-23(22)30-26)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
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n/an/a 3.80E+6n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 4005-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.059
BindingDB Entry DOI: 10.7270/Q2C24XQT
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50422585
PNG
(CHEMBL134628)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H14Cl2O4S/c1-29(26,27)15-9-6-13(7-10-15)22-20(14-8-11-17(23)18(24)12-14)21(25)16-4-2-3-5-19(16)28-22/h2-12H,1H3
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n/an/a 2.69E+5n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 4005-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.059
BindingDB Entry DOI: 10.7270/Q2C24XQT
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50422589
PNG
(CHEMBL134512)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H15FO4S/c1-28(25,26)17-12-8-15(9-13-17)22-20(14-6-10-16(23)11-7-14)21(24)18-4-2-3-5-19(18)27-22/h2-13H,1H3
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n/an/a 2.04E+5n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 4005-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.059
BindingDB Entry DOI: 10.7270/Q2C24XQT
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50422592
PNG
(CHEMBL133421)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H15ClO4S/c1-28(25,26)17-11-9-14(10-12-17)22-20(15-5-4-6-16(23)13-15)21(24)18-7-2-3-8-19(18)27-22/h2-13H,1H3
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n/an/a 3.63E+5n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 4005-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.059
BindingDB Entry DOI: 10.7270/Q2C24XQT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422575
PNG
(CHEMBL133659)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C22H16O4S/c1-27(24,25)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)26-22/h2-14H,1H3
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n/an/a 929n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422581
PNG
(CHEMBL336354)
Show SMILES Cc1ccccc1-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H18O4S/c1-15-7-3-4-8-18(15)21-22(24)19-9-5-6-10-20(19)27-23(21)16-11-13-17(14-12-16)28(2,25)26/h3-14H,1-2H3
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n/an/a 947n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422583
PNG
(CHEMBL134774)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc2ccccc12
Show InChI InChI=1S/C26H18O4S/c1-31(28,29)19-15-13-18(14-16-19)26-24(25(27)22-10-4-5-12-23(22)30-26)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
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n/an/a 3.75E+3n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422574
PNG
(CHEMBL133787)
Show SMILES COc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H18O5S/c1-27-17-11-7-15(8-12-17)21-22(24)19-5-3-4-6-20(19)28-23(21)16-9-13-18(14-10-16)29(2,25)26/h3-14H,1-2H3
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n/an/a 516n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422572
PNG
(CHEMBL336206)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15ClO4S/c1-28(25,26)17-12-8-15(9-13-17)22-20(14-6-10-16(23)11-7-14)21(24)18-4-2-3-5-19(18)27-22/h2-13H,1H3
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n/an/a 340n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422592
PNG
(CHEMBL133421)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccc(Cl)c1
Show InChI InChI=1S/C22H15ClO4S/c1-28(25,26)17-11-9-14(10-12-17)22-20(15-5-4-6-16(23)13-15)21(24)18-7-2-3-8-19(18)27-22/h2-13H,1H3
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n/an/a 365n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50422589
PNG
(CHEMBL134512)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C22H15FO4S/c1-28(25,26)17-12-8-15(9-13-17)22-20(14-6-10-16(23)11-7-14)21(24)18-4-2-3-5-19(18)27-22/h2-13H,1H3
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n/an/a 202n/an/an/an/an/an/a



AmorePacific Corporation R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against prostaglandin G/H synthase 2 using freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 13: 413-7 (2003)


Article DOI: 10.1016/s0960-894x(02)00952-6
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50422574
PNG
(CHEMBL133787)
Show SMILES COc1ccc(cc1)-c1c(oc2ccccc2c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H18O5S/c1-27-17-11-7-15(8-12-17)21-22(24)19-5-3-4-6-20(19)28-23(21)16-9-13-18(14-10-16)29(2,25)26/h3-14H,1-2H3
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n/an/a 5.13E+5n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 4005-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.059
BindingDB Entry DOI: 10.7270/Q2C24XQT
More data for this
Ligand-Target Pair