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Compile Data Set for Download or QSAR

Found 186 hits with Last Name = 'pisat' and Initial = 'm'   
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 E synthase


(Homo sapiens (Human))		BDBM50028856
PNG
(CHEMBL3342696 | US9216968, 113 | US9732066, 113)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)
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n/an/a 0.100n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50028854
PNG
(CHEMBL3342693)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F5N5O2/c1-11(2)20(34)30-10-13-8-16(18(19(24)25)29-9-13)21(35)33-22-31-12(3)17(32-22)14-4-6-15(7-5-14)23(26,27)28/h4-9,11,19H,10H2,1-3H3,(H,30,34)(H2,31,32,33,35)
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n/an/a 0.940n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50028856
PNG
(CHEMBL3342696 | US9216968, 113 | US9732066, 113)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)
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n/an/a 1.20n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50028853
PNG
(CHEMBL3342695)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc(OCC(F)F)c(c1)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C28H27BrClF2N3O4/c1-28(2,3)27(38)33-14-16-4-10-22(30)20(12-16)25(36)35-19-9-11-23(39-15-24(31)32)21(13-19)26(37)34-18-7-5-17(29)6-8-18/h4-13,24H,14-15H2,1-3H3,(H,33,38)(H,34,37)(H,35,36)
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n/an/a 2n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated for 25 mins prior to substrate addition measured after 1 min by HTRF method

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452066
PNG
(CHEMBL4206145)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C24H27Cl2N5O2/c1-24(2)9-15-19-18(29-23(30-19)31-20-16(25)11-27-12-17(20)26)8-14(21(15)33-24)22(32)28-10-13-6-4-3-5-7-13/h8,11-13H,3-7,9-10H2,1-2H3,(H,28,32)(H2,27,29,30,31)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452084
PNG
(CHEMBL4207228)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)NCC1CCCC1
Show InChI InChI=1S/C24H26Cl2N4O2/c1-24(2)11-15-19-18(28-23(29-19)30-20-16(25)8-5-9-17(20)26)10-14(21(15)32-24)22(31)27-12-13-6-3-4-7-13/h5,8-10,13H,3-4,6-7,11-12H2,1-2H3,(H,27,31)(H2,28,29,30)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50207335
PNG
(CHEMBL3961834)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)5-4-6-18(20)28)11-15(22(16)37-25)23(36)32-14-9-7-13(8-10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452071
PNG
(CHEMBL4208718)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C24H19ClF2N4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)27)10-14(21(15)33-24)22(32)28-13-8-6-12(26)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM124296
PNG
(US8759537, 33)
Show SMILES Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)cc3F)c(OCC(F)F)cc12
Show InChI InChI=1S/C29H27Cl3F3N5O3/c1-29(2,3)27(42)36-12-14-5-7-17(31)25(24(14)32)39-28-38-20-10-16(22(43-13-23(34)35)11-21(20)40(28)4)26(41)37-19-8-6-15(30)9-18(19)33/h5-11,23H,12-13H2,1-4H3,(H,36,42)(H,37,41)(H,38,39)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 using PGH2 as substrate pretreated for 25 mins followed by substrate addition measured after 60 secs by HTRF a...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50028860
PNG
(CHEMBL3342699)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccnc2c(Nc3ccc(cc3)C(F)(F)F)nsc12
Show InChI InChI=1S/C26H23ClF3N5O2S/c1-25(2,3)24(37)32-13-14-4-9-18(27)17(12-14)23(36)34-19-10-11-31-20-21(19)38-35-22(20)33-16-7-5-15(6-8-16)26(28,29)30/h4-12H,13H2,1-3H3,(H,32,37)(H,33,35)(H,31,34,36)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50028784
PNG
(CHEMBL3342692)
Show SMILES Cn1c(Nc2cc(CNC(=O)C(C)(C)C)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc12
Show InChI InChI=1S/C29H29BrClF2N5O3/c1-29(2,3)27(40)34-14-16-5-10-20(31)21(11-16)36-28-37-22-12-19(26(39)35-18-8-6-17(30)7-9-18)24(41-15-25(32)33)13-23(22)38(28)4/h5-13,25H,14-15H2,1-4H3,(H,34,40)(H,35,39)(H,36,37)
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n/an/a 3n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460527
PNG
(CHEMBL4228430)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)8-5-9-18(20)28)11-15(22(16)37-25)23(36)32-14-7-4-6-13(10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460529
PNG
(CHEMBL4228804)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C25H18ClF5N4O2/c1-24(2)10-13-19-18(33-23(34-19)35-20-14(26)4-3-5-16(20)28)9-12(21(13)37-24)22(36)32-17-8-11(25(29,30)31)6-7-15(17)27/h3-9H,10H2,1-2H3,(H,32,36)(H2,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460540
PNG
(CHEMBL4227388)
Show SMILES Cc1ccc(NC(=O)c2cc3nc(Nc4c(F)cccc4Cl)n(C)c3c3CC(C)(C)Oc23)c(F)c1
Show InChI InChI=1S/C26H23ClF2N4O2/c1-13-8-9-19(18(29)10-13)30-24(34)14-11-20-22(15-12-26(2,3)35-23(14)15)33(4)25(31-20)32-21-16(27)6-5-7-17(21)28/h5-11H,12H2,1-4H3,(H,30,34)(H,31,32)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460542
PNG
(CHEMBL4227545)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C25H18ClF5N4O2/c1-24(2)10-13-19-18(33-23(34-19)35-20-14(26)4-3-5-15(20)27)9-12(21(13)37-24)22(36)32-17-7-6-11(8-16(17)28)25(29,30)31/h3-9H,10H2,1-2H3,(H,32,36)(H2,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460537
PNG
(CHEMBL4226536)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C1CC1
Show InChI InChI=1S/C27H23Cl2FN4O2/c1-27(2)12-16-22-21(32-26(33-22)34-23-17(28)4-3-5-18(23)29)11-15(24(16)36-27)25(35)31-20-10-14(13-6-7-13)8-9-19(20)30/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50207335
PNG
(CHEMBL3961834)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)5-4-6-18(20)28)11-15(22(16)37-25)23(36)32-14-9-7-13(8-10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460531
PNG
(CHEMBL4226545)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cc(ccc3F)C(F)(F)F)c3OC(C)(C)Cc3c2[nH]1
Show InChI InChI=1S/C26H21ClF4N4O2/c1-12-5-4-6-16(27)20(12)34-24-33-19-10-14(22-15(21(19)35-24)11-25(2,3)37-22)23(36)32-18-9-13(26(29,30)31)7-8-17(18)28/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452078
PNG
(CHEMBL4203842)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C24H19Cl2FN4O2/c1-24(2)11-15-19-18(29-23(30-19)31-20-16(25)4-3-5-17(20)26)10-14(21(15)33-24)22(32)28-13-8-6-12(27)7-9-13/h3-10H,11H2,1-2H3,(H,28,32)(H2,29,30,31)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460536
PNG
(CHEMBL4225183)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C1CC1
Show InChI InChI=1S/C27H23ClF2N4O2/c1-27(2)12-16-22-21(32-26(33-22)34-23-17(28)4-3-5-19(23)30)11-15(24(16)36-27)25(35)31-20-10-14(13-6-7-13)8-9-18(20)29/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452079
PNG
(CHEMBL4206581)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-15-19-18(32-23(33-19)34-20-16(26)4-3-5-17(20)27)10-14(21(15)36-24)22(35)31-13-8-6-12(7-9-13)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452073
PNG
(CHEMBL4210425)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)Nc1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C24H17Cl2F4N5O2/c1-23(2)7-12-18-17(33-22(34-18)35-19-13(25)8-31-9-14(19)26)6-11(20(12)37-23)21(36)32-16-4-3-10(5-15(16)27)24(28,29)30/h3-6,8-9H,7H2,1-2H3,(H,32,36)(H2,31,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50207343
PNG
(CHEMBL3931344)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H19ClF4N4O2/c1-24(2)11-15-19-18(32-23(33-19)34-20-16(26)4-3-5-17(20)27)10-14(21(15)36-24)22(35)31-13-8-6-12(7-9-13)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460541
PNG
(CHEMBL4225710)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cn3)C(F)(F)F)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C25H20ClF4N5O2/c1-24(2)10-14-20-17(32-23(35(20)3)34-19-15(26)5-4-6-16(19)27)9-13(21(14)37-24)22(36)33-18-8-7-12(11-31-18)25(28,29)30/h4-9,11H,10H2,1-3H3,(H,32,34)(H,31,33,36)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50099407
PNG
(CHEMBL3342851)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H20F5N5O2/c1-12(2)23(36)33-10-13-7-16(20(21(26)27)32-9-13)22-34-19-8-18(31-11-17(19)24(37)35-22)14-3-5-15(6-4-14)25(28,29)30/h3-9,11-12,21H,10H2,1-2H3,(H,33,36)(H,34,35,37)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460534
PNG
(CHEMBL4229061)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C24H18Cl2F3N5O2/c1-23(2)9-13-18-16(31-22(33-18)34-19-14(25)4-3-5-15(19)26)8-12(20(13)36-23)21(35)32-17-7-6-11(10-30-17)24(27,28)29/h3-8,10H,9H2,1-2H3,(H,30,32,35)(H2,31,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452070
PNG
(CHEMBL4204420)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H20Cl2N4O2/c1-24(2)12-15-19-18(28-23(29-19)30-20-16(25)9-6-10-17(20)26)11-14(21(15)32-24)22(31)27-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,27,31)(H2,28,29,30)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452070
PNG
(CHEMBL4204420)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H20Cl2N4O2/c1-24(2)12-15-19-18(28-23(29-19)30-20-16(25)9-6-10-17(20)26)11-14(21(15)32-24)22(31)27-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H,27,31)(H2,28,29,30)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 production pretreated for 30 mins followed by IL-1beta additi...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452044
PNG
(CHEMBL4213901)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H30ClFN4O2/c1-30(2)16-21-25-24(34-29(35-25)36-26-22(31)9-6-10-23(26)32)15-20(27(21)38-30)28(37)33-19-13-11-18(12-14-19)17-7-4-3-5-8-17/h6,9-15,17H,3-5,7-8,16H2,1-2H3,(H,33,37)(H2,34,35,36)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452044
PNG
(CHEMBL4213901)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C30H30ClFN4O2/c1-30(2)16-21-25-24(34-29(35-25)36-26-22(31)9-6-10-23(26)32)15-20(27(21)38-30)28(37)33-19-13-11-18(12-14-19)17-7-4-3-5-8-17/h6,9-15,17H,3-5,7-8,16H2,1-2H3,(H,33,37)(H2,34,35,36)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 production pretreated for 30 mins followed by IL-1beta additi...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460539
PNG
(CHEMBL4225160)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C3CC3)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C28H26ClFN4O2/c1-28(2)14-19-24-22(32-27(34(24)3)33-23-20(29)5-4-6-21(23)30)13-18(25(19)36-28)26(35)31-17-11-9-16(10-12-17)15-7-8-15/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,31,35)(H,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452079
PNG
(CHEMBL4206581)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-15-19-18(32-23(33-19)34-20-16(26)4-3-5-17(20)27)10-14(21(15)36-24)22(35)31-13-8-6-12(7-9-13)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta induced PGE2 production pretreated for 30 mins followed by IL-1beta additi...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452045
PNG
(CHEMBL4211033)
Show SMILES Cc1cc2c3[nH]c(Nc4c(Cl)cccc4Cl)nc3cc(C(=O)Nc3cccc(c3)C(F)(F)F)c2o1
Show InChI InChI=1S/C24H15Cl2F3N4O2/c1-11-8-14-19-18(31-23(32-19)33-20-16(25)6-3-7-17(20)26)10-15(21(14)35-11)22(34)30-13-5-2-4-12(9-13)24(27,28)29/h2-10H,1H3,(H,30,34)(H2,31,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452074
PNG
(CHEMBL4204099)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H17Cl2F4N5O2/c1-23(2)7-12-18-17(33-22(34-18)35-19-14(25)8-31-9-15(19)26)6-11(20(12)37-23)21(36)32-10-3-4-16(27)13(5-10)24(28,29)30/h3-6,8-9H,7H2,1-2H3,(H,32,36)(H2,31,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460539
PNG
(CHEMBL4225160)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C3CC3)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C28H26ClFN4O2/c1-28(2)14-19-24-22(32-27(34(24)3)33-23-20(29)5-4-6-21(23)30)13-18(25(19)36-28)26(35)31-17-11-9-16(10-12-17)15-7-8-15/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,31,35)(H,32,33)
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n/an/a 4.90n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460533
PNG
(CHEMBL4225008)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-13-19-18(32-23(33-19)34-20-15(26)7-5-8-16(20)27)10-12(21(13)36-24)22(35)31-17-9-4-3-6-14(17)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
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n/an/a 4.90n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460528
PNG
(CHEMBL4224969)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H18ClF5N4O2/c1-24(2)10-13-19-18(33-23(34-19)35-20-15(26)4-3-5-17(20)28)9-12(21(13)37-24)22(36)32-11-6-7-16(27)14(8-11)25(29,30)31/h3-9H,10H2,1-2H3,(H,32,36)(H2,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50099410
PNG
(CHEMBL3342849)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-8-19(26)17(9-14)22-32-21-10-20(30-12-18(21)24(35)33-22)15-4-6-16(7-5-15)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35)
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n/an/a 5n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50099410
PNG
(CHEMBL3342849)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(ncc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)31-11-14-3-8-19(26)17(9-14)22-32-21-10-20(30-12-18(21)24(35)33-22)15-4-6-16(7-5-15)25(27,28)29/h3-10,12-13H,11H2,1-2H3,(H,31,34)(H,32,33,35)
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n/an/a 5n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as inhibition of IL-1beta-induced PGE2 production incubated for 30 mins prior to IL-1beta challeng...

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50028861
PNG
(CHEMBL3342700)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2cnn(-c3ccc(cc3)C(F)(F)F)c(=O)c2c1
Show InChI InChI=1S/C28H24ClF3N4O3/c1-27(2,3)26(39)33-14-16-4-11-23(29)22(12-16)24(37)35-19-8-5-17-15-34-36(25(38)21(17)13-19)20-9-6-18(7-10-20)28(30,31)32/h4-13,15H,14H2,1-3H3,(H,33,39)(H,35,37)
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n/an/a 5n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460526
PNG
(CHEMBL4224733)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H19ClF4N4O2/c1-24(2)11-13-19-18(32-23(33-19)34-20-15(26)7-5-8-16(20)27)10-12(21(13)36-24)22(35)31-17-9-4-3-6-14(17)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
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n/an/a 5.10n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460533
PNG
(CHEMBL4225008)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H19Cl2F3N4O2/c1-24(2)11-13-19-18(32-23(33-19)34-20-15(26)7-5-8-16(20)27)10-12(21(13)36-24)22(35)31-17-9-4-3-6-14(17)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460543
PNG
(CHEMBL4226526)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c3OC(C)(C)Cc3c2[nH]1
Show InChI InChI=1S/C26H21ClF4N4O2/c1-12-5-4-6-17(27)20(12)34-24-33-19-10-14(22-15(21(19)35-24)11-25(2,3)37-22)23(36)32-13-7-8-18(28)16(9-13)26(29,30)31/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460527
PNG
(CHEMBL4228430)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OC(C)(C)Cc3c12
Show InChI InChI=1S/C26H21ClF4N4O2/c1-25(2)12-16-21-19(33-24(35(21)3)34-20-17(27)8-5-9-18(20)28)11-15(22(16)37-25)23(36)32-14-7-4-6-13(10-14)26(29,30)31/h4-11H,12H2,1-3H3,(H,32,36)(H,33,34)
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n/an/a 5.70n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452072
PNG
(CHEMBL4218836)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cncc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H18Cl2F3N5O2/c1-23(2)8-14-18-17(32-22(33-18)34-19-15(25)9-30-10-16(19)26)7-13(20(14)36-23)21(35)31-12-5-3-11(4-6-12)24(27,28)29/h3-7,9-10H,8H2,1-2H3,(H,31,35)(H2,30,32,33,34)
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n/an/a 5.80n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50099411
PNG
(CHEMBL3342848)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)-c1nc2cc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F5N4O2/c1-13(2)24(36)33-12-14-9-19(21(22(27)28)32-11-14)23-34-20-10-16(5-8-18(20)25(37)35-23)15-3-6-17(7-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,35,37)
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n/an/a 6n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...

Bioorg Med Chem Lett 24: 4838-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.056
BindingDB Entry DOI: 10.7270/Q2X068MN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460546
PNG
(CHEMBL4227610)
Show SMILES Cc1cc(ccc1NC(=O)c1cc2nc(Nc3c(F)cccc3Cl)[nH]c2c2CC(C)(C)Oc12)C(F)(F)F
Show InChI InChI=1S/C26H21ClF4N4O2/c1-12-9-13(26(29,30)31)7-8-18(12)32-23(36)14-10-19-20(15-11-25(2,3)37-22(14)15)34-24(33-19)35-21-16(27)5-4-6-17(21)28/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460536
PNG
(CHEMBL4225183)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1cc(ccc1F)C1CC1
Show InChI InChI=1S/C27H23ClF2N4O2/c1-27(2)12-16-22-21(32-26(33-22)34-23-17(28)4-3-5-19(23)30)11-15(24(16)36-27)25(35)31-20-10-14(13-6-7-13)8-9-18(20)29/h3-5,8-11,13H,6-7,12H2,1-2H3,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in human A549 cells assessed as reduction in IL-1beta-induced PGE2 production preincubated for 30 mins followed by incubation wi...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50460546
PNG
(CHEMBL4227610)
Show SMILES Cc1cc(ccc1NC(=O)c1cc2nc(Nc3c(F)cccc3Cl)[nH]c2c2CC(C)(C)Oc12)C(F)(F)F
Show InChI InChI=1S/C26H21ClF4N4O2/c1-12-9-13(26(29,30)31)7-8-18(12)32-23(36)14-10-19-20(15-11-25(2,3)37-22(14)15)34-24(33-19)35-21-16(27)5-4-6-17(21)28/h4-10H,11H2,1-3H3,(H,32,36)(H2,33,34,35)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells assessed as reduction in PGE2 production using PGH2 as substrate incubated for 10 mins ...

Bioorg Med Chem Lett 28: 1211-1218 (2018)


Article DOI: 10.1016/j.bmcl.2018.02.048
BindingDB Entry DOI: 10.7270/Q2N300K5
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM50452046
PNG
(CHEMBL4203493)
Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)NCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C21H17Cl2F5N4O2/c1-19(2)7-10-14-13(30-18(31-14)32-15-11(22)4-3-5-12(15)23)6-9(16(10)34-19)17(33)29-8-20(24,25)21(26,27)28/h3-6H,7-8H2,1-2H3,(H,29,33)(H2,30,31,32)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES1 expressed in CHO cells using PGH2 as substrate pretreated for 10 mins followed by substrate addition measured ...

Bioorg Med Chem Lett 27: 5131-5138 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.062
BindingDB Entry DOI: 10.7270/Q2JS9T0V
More data for this
Ligand-Target Pair
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