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PubMed code 23131542

Compile data set for download or QSAR
Found 16 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))		BDBM50392669
PNG
(CHEMBL2153831)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCCO
Show InChI InChI=1S/C24H27FN2O5S/c1-16-21(23(26)24(29)32-14-4-3-13-28)15-22(27(16)19-9-7-18(25)8-10-19)17-5-11-20(12-6-17)33(2,30)31/h5-12,15,23,28H,3-4,13-14,26H2,1-2H3
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n/an/a 220n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50392667
PNG
(CHEMBL2153829)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCO
Show InChI InChI=1S/C23H25FN2O5S/c1-15-20(22(25)23(28)31-13-3-12-27)14-21(26(15)18-8-6-17(24)7-9-18)16-4-10-19(11-5-16)32(2,29)30/h4-11,14,22,27H,3,12-13,25H2,1-2H3
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n/an/a 760n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50392663
PNG
(CHEMBL2153825)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCO[N+]([O-])=O
Show InChI InChI=1S/C23H24FN3O7S/c1-15-20(22(25)23(28)33-12-3-13-34-27(29)30)14-21(26(15)18-8-6-17(24)7-9-18)16-4-10-19(11-5-16)35(2,31)32/h4-11,14,22H,3,12-13,25H2,1-2H3
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n/an/a 820n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50392665
PNG
(CHEMBL2153827)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C24H26FN3O7S/c1-16-21(23(26)24(29)34-13-3-4-14-35-28(30)31)15-22(27(16)19-9-7-18(25)8-10-19)17-5-11-20(12-6-17)36(2,32)33/h5-12,15,23H,3-4,13-14,26H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50392668
PNG
(CHEMBL2153830)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)OCCCO
Show InChI InChI=1S/C23H25FN2O5S/c1-15-20(22(25)23(28)31-12-4-11-27)14-21(26(15)18-6-3-5-17(24)13-18)16-7-9-19(10-8-16)32(2,29)30/h3,5-10,13-14,22,27H,4,11-12,25H2,1-2H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50392666
PNG
(CHEMBL2153828)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C24H26FN3O7S/c1-16-21(23(26)24(29)34-12-3-4-13-35-28(30)31)15-22(27(16)19-7-5-6-18(25)14-19)17-8-10-20(11-9-17)36(2,32)33/h5-11,14-15,23H,3-4,12-13,26H2,1-2H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50392670
PNG
(CHEMBL2153832)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)OCCCCO
Show InChI InChI=1S/C24H27FN2O5S/c1-16-21(23(26)24(29)32-13-4-3-12-28)15-22(27(16)19-7-5-6-18(25)14-19)17-8-10-20(11-9-17)33(2,30)31/h5-11,14-15,23,28H,3-4,12-13,26H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50392664
PNG
(CHEMBL2153826)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)OCCCO[N+]([O-])=O
Show InChI InChI=1S/C23H24FN3O7S/c1-15-20(22(25)23(28)33-11-4-12-34-27(29)30)14-21(26(15)18-6-3-5-17(24)13-18)16-7-9-19(10-8-16)35(2,31)32/h3,5-10,13-14,22H,4,11-12,25H2,1-2H3
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n/an/a 1.51E+3n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-induced mouse J774 cells by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50392665
PNG
(CHEMBL2153827)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C24H26FN3O7S/c1-16-21(23(26)24(29)34-13-3-4-14-35-28(30)31)15-22(27(16)19-9-7-18(25)8-10-19)17-5-11-20(12-6-17)36(2,32)33/h5-12,15,23H,3-4,13-14,26H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated PGE2 production in mouse J774 cells preincubated for 15 mins measured after 30 mins by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50392663
PNG
(CHEMBL2153825)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCO[N+]([O-])=O
Show InChI InChI=1S/C23H24FN3O7S/c1-15-20(22(25)23(28)33-12-3-13-34-27(29)30)14-21(26(15)18-8-6-17(24)7-9-18)16-4-10-19(11-5-16)35(2,31)32/h4-11,14,22H,3,12-13,25H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated PGE2 production in mouse J774 cells preincubated for 15 mins measured after 30 mins by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50392664
PNG
(CHEMBL2153826)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)OCCCO[N+]([O-])=O
Show InChI InChI=1S/C23H24FN3O7S/c1-15-20(22(25)23(28)33-11-4-12-34-27(29)30)14-21(26(15)18-6-3-5-17(24)13-18)16-7-9-19(10-8-16)35(2,31)32/h3,5-10,13-14,22H,4,11-12,25H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated PGE2 production in mouse J774 cells preincubated for 15 mins measured after 30 mins by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50392669
PNG
(CHEMBL2153831)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCCO
Show InChI InChI=1S/C24H27FN2O5S/c1-16-21(23(26)24(29)32-14-4-3-13-28)15-22(27(16)19-9-7-18(25)8-10-19)17-5-11-20(12-6-17)33(2,30)31/h5-12,15,23,28H,3-4,13-14,26H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated PGE2 production in mouse J774 cells preincubated for 15 mins measured after 30 mins by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50392670
PNG
(CHEMBL2153832)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)OCCCCO
Show InChI InChI=1S/C24H27FN2O5S/c1-16-21(23(26)24(29)32-13-4-3-12-28)15-22(27(16)19-7-5-6-18(25)14-19)17-8-10-20(11-9-17)33(2,30)31/h5-11,14-15,23,28H,3-4,12-13,26H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated PGE2 production in mouse J774 cells preincubated for 15 mins measured after 30 mins by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50392668
PNG
(CHEMBL2153830)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)OCCCO
Show InChI InChI=1S/C23H25FN2O5S/c1-15-20(22(25)23(28)31-12-4-11-27)14-21(26(15)18-6-3-5-17(24)13-18)16-7-9-19(10-8-16)32(2,29)30/h3,5-10,13-14,22,27H,4,11-12,25H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated PGE2 production in mouse J774 cells preincubated for 15 mins measured after 30 mins by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50392667
PNG
(CHEMBL2153829)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C(N)C(=O)OCCCO
Show InChI InChI=1S/C23H25FN2O5S/c1-15-20(22(25)23(28)31-13-3-12-27)14-21(26(15)18-8-6-17(24)7-9-18)16-4-10-19(11-5-16)32(2,29)30/h4-11,14,22,27H,3,12-13,25H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated PGE2 production in mouse J774 cells preincubated for 15 mins measured after 30 mins by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50392666
PNG
(CHEMBL2153828)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)OCCCCO[N+]([O-])=O
Show InChI InChI=1S/C24H26FN3O7S/c1-16-21(23(26)24(29)34-12-3-4-13-35-28(30)31)15-22(27(16)19-7-5-6-18(25)14-19)17-8-10-20(11-9-17)36(2,32)33/h5-11,14-15,23H,3-4,12-13,26H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-mediated PGE2 production in mouse J774 cells preincubated for 15 mins measured after 30 mins by radioimmunoassay

Eur J Med Chem 58: 287-98 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.014
BindingDB Entry DOI: 10.7270/Q2HH6M5D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%