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Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'ma' and Initial = 'ya'   
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
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a 1.90n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50227631
PNG
(2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...)
Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
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n/an/a 1.90n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 3.20n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207322
PNG
(CHEMBL3916119)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(C#CC4CC4)c(F)c3)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C27H19ClF2N4O3/c28-18-2-1-3-19(29)22(18)33-27-32-21-13-17(24-25(23(21)34-27)37-11-10-36-24)26(35)31-16-9-8-15(20(30)12-16)7-6-14-4-5-14/h1-3,8-9,12-14H,4-5,10-11H2,(H,31,35)(H2,32,33,34)
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n/an/a 3.60n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
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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n/an/a 3.90n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
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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n/an/a 4n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human mPGES-1 expressed in Escherichia coli Rosetta microsomes assessed as reduction in conversion of PGH2 to PGE2 incubate...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207345
PNG
(CHEMBL3944077)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(C#CC4CC4)c(F)c3)c3OCCOc3c12
Show InChI InChI=1S/C28H21ClF2N4O3/c1-35-24-22(33-28(35)34-23-19(29)3-2-4-20(23)30)14-18(25-26(24)38-12-11-37-25)27(36)32-17-10-9-16(21(31)13-17)8-7-15-5-6-15/h2-4,9-10,13-15H,5-6,11-12H2,1H3,(H,32,36)(H,33,34)
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n/an/a 4.20n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207337
PNG
(CHEMBL3926181)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C24H17ClF4N4O3/c1-33-19-17(31-23(33)32-18-15(25)3-2-4-16(18)26)11-14(20-21(19)36-10-9-35-20)22(34)30-13-7-5-12(6-8-13)24(27,28)29/h2-8,11H,9-10H2,1H3,(H,30,34)(H,31,32)
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n/an/a 6.60n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207329
PNG
(CHEMBL3984373)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)NC3CCC(C)(C)CC3)c3OCCOc3c12
Show InChI InChI=1S/C25H28ClFN4O3/c1-25(2)9-7-14(8-10-25)28-23(32)15-13-18-20(22-21(15)33-11-12-34-22)31(3)24(29-18)30-19-16(26)5-4-6-17(19)27/h4-6,13-14H,7-12H2,1-3H3,(H,28,32)(H,29,30)
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n/an/a 7.20n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207323
PNG
(CHEMBL3897959)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C24H16ClF5N4O3/c1-34-19-17(32-23(34)33-18-15(25)3-2-4-16(18)27)10-14(20-21(19)37-6-5-36-20)22(35)31-13-8-11(24(28,29)30)7-12(26)9-13/h2-4,7-10H,5-6H2,1H3,(H,31,35)(H,32,33)
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n/an/a 8n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207324
PNG
(CHEMBL3898125)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C24H16ClF5N4O3/c1-34-19-17(32-23(34)33-18-14(25)3-2-4-16(18)27)10-12(20-21(19)37-8-7-36-20)22(35)31-11-5-6-15(26)13(9-11)24(28,29)30/h2-6,9-10H,7-8H2,1H3,(H,31,35)(H,32,33)
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n/an/a 8n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207342
PNG
(CHEMBL3935630)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C23H15ClF4N4O3/c24-14-5-2-6-15(25)17(14)31-22-30-16-10-13(19-20(18(16)32-22)35-8-7-34-19)21(33)29-12-4-1-3-11(9-12)23(26,27)28/h1-6,9-10H,7-8H2,(H,29,33)(H2,30,31,32)
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n/an/a 8.5n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207316
PNG
(CHEMBL3925606)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C23H14ClF5N4O3/c24-13-2-1-3-15(26)17(13)32-22-31-16-9-11(19-20(18(16)33-22)36-7-6-35-19)21(34)30-10-4-5-14(25)12(8-10)23(27,28)29/h1-5,8-9H,6-7H2,(H,30,34)(H2,31,32,33)
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n/an/a 9.10n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207318
PNG
(CHEMBL3895356)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C24H17ClF4N4O3/c1-11-3-2-4-16(25)18(11)32-23-31-17-10-15(20-21(19(17)33-23)36-6-5-35-20)22(34)30-14-8-12(24(27,28)29)7-13(26)9-14/h2-4,7-10H,5-6H2,1H3,(H,30,34)(H2,31,32,33)
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n/an/a 10n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207344
PNG
(CHEMBL3926203)
Show SMILES Fc1cc(NC(=O)c2cc3nc(Nc4c(F)cccc4Cl)[nH]c3c3OCCOc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H14ClF5N4O3/c24-14-2-1-3-15(26)17(14)32-22-31-16-9-13(19-20(18(16)33-22)36-5-4-35-19)21(34)30-12-7-10(23(27,28)29)6-11(25)8-12/h1-3,6-9H,4-5H2,(H,30,34)(H2,31,32,33)
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n/an/a 11n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207336
PNG
(CHEMBL3932436)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C24H17ClF4N4O3/c1-33-19-17(31-23(33)32-18-15(25)6-3-7-16(18)26)11-14(20-21(19)36-9-8-35-20)22(34)30-13-5-2-4-12(10-13)24(27,28)29/h2-7,10-11H,8-9H2,1H3,(H,30,34)(H,31,32)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207325
PNG
(CHEMBL3920280)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c(O)c(O)c12
Show InChI InChI=1S/C22H14ClF5N4O3/c1-32-17-15(30-21(32)31-16-13(23)3-2-4-14(16)25)8-12(18(33)19(17)34)20(35)29-11-6-9(22(26,27)28)5-10(24)7-11/h2-8,33-34H,1H3,(H,29,35)(H,30,31)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207338
PNG
(CHEMBL3935105)
Show SMILES CCn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C25H18ClF5N4O3/c1-2-35-20-18(33-24(35)34-19-16(26)4-3-5-17(19)28)11-15(21-22(20)38-7-6-37-21)23(36)32-14-9-12(25(29,30)31)8-13(27)10-14/h3-5,8-11H,2,6-7H2,1H3,(H,32,36)(H,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207328
PNG
(CHEMBL3909776)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C23H15ClF4N4O3/c24-14-2-1-3-15(25)17(14)31-22-30-16-10-13(19-20(18(16)32-22)35-9-8-34-19)21(33)29-12-6-4-11(5-7-12)23(26,27)28/h1-7,10H,8-9H2,(H,29,33)(H2,30,31,32)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207344
PNG
(CHEMBL3926203)
Show SMILES Fc1cc(NC(=O)c2cc3nc(Nc4c(F)cccc4Cl)[nH]c3c3OCCOc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C23H14ClF5N4O3/c24-14-2-1-3-15(26)17(14)32-22-31-16-9-13(19-20(18(16)33-22)36-5-4-35-19)21(34)30-12-7-10(23(27,28)29)6-11(25)8-12/h1-3,6-9H,4-5H2,(H,30,34)(H2,31,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207319
PNG
(CHEMBL3949380)
Show SMILES COc1c(cc2nc(Nc3c(F)cccc3Cl)n(C)c2c1OC)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF5N4O3/c1-34-19-17(32-23(34)33-18-15(25)5-4-6-16(18)27)10-14(20(36-2)21(19)37-3)22(35)31-13-8-11(24(28,29)30)7-12(26)9-13/h4-10H,1-3H3,(H,31,35)(H,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207327
PNG
(CHEMBL3987179)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)N[C@H]3CC[C@@H](CC3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1/C24H23ClF4N4O3/c1-33-19-17(31-23(33)32-18-15(25)3-2-4-16(18)26)11-14(20-21(19)36-10-9-35-20)22(34)30-13-7-5-12(6-8-13)24(27,28)29/h2-4,11-13H,5-10H2,1H3,(H,30,34)(H,31,32)/t12-,13-
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207322
PNG
(CHEMBL3916119)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(C#CC4CC4)c(F)c3)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C27H19ClF2N4O3/c28-18-2-1-3-19(29)22(18)33-27-32-21-13-17(24-25(23(21)34-27)37-11-10-36-24)26(35)31-16-9-8-15(20(30)12-16)7-6-14-4-5-14/h1-3,8-9,12-14H,4-5,10-11H2,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207326
PNG
(CHEMBL3891935)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3ncccc3c2[nH]1
Show InChI InChI=1S/C24H14ClF4N5O/c25-16-7-2-8-17(26)21(16)34-23-32-18-11-15(19-14(20(18)33-23)6-3-9-30-19)22(35)31-13-5-1-4-12(10-13)24(27,28)29/h1-11H,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207323
PNG
(CHEMBL3897959)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C24H16ClF5N4O3/c1-34-19-17(32-23(34)33-18-15(25)3-2-4-16(18)27)10-14(20-21(19)37-6-5-36-20)22(35)31-13-8-11(24(28,29)30)7-12(26)9-13/h2-4,7-10H,5-6H2,1H3,(H,31,35)(H,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207337
PNG
(CHEMBL3926181)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C24H17ClF4N4O3/c1-33-19-17(31-23(33)32-18-15(25)3-2-4-16(18)26)11-14(20-21(19)36-10-9-35-20)22(34)30-13-7-5-12(6-8-13)24(27,28)29/h2-8,11H,9-10H2,1H3,(H,30,34)(H,31,32)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207333
PNG
(CHEMBL3956753)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(C(=O)N[C@H]3CC[C@@H](CC3)C(F)(F)F)c3OCCOc3c2[nH]1
Show InChI InChI=1/C24H24ClF3N4O3/c1-12-3-2-4-16(25)18(12)31-23-30-17-11-15(20-21(19(17)32-23)35-10-9-34-20)22(33)29-14-7-5-13(6-8-14)24(26,27)28/h2-4,11,13-14H,5-10H2,1H3,(H,29,33)(H2,30,31,32)/t13-,14-
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207331
PNG
(CHEMBL3980735)
Show SMILES Clc1cc2nc(N3CCC(CC3)C(=O)N[C@@H]3CCOC3)n(-c3ccc4ccccc4n3)c2cc1Cl
Show InChI InChI=1/C26H25Cl2N5O2/c27-19-13-22-23(14-20(19)28)33(24-6-5-16-3-1-2-4-21(16)30-24)26(31-22)32-10-7-17(8-11-32)25(34)29-18-9-12-35-15-18/h1-6,13-14,17-18H,7-12,15H2,(H,29,34)/t18-/s2
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant membrane bound mPGES-1 assessed as reduction in conversion of PGH2 to PGE2 by measuring MDA and 12-HHT formation by f...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207317
PNG
(CHEMBL3955759)
Show SMILES CC1(C)CCC(CC1)NC(=O)c1cc2nc(Nc3c(F)cccc3Cl)[nH]c2c2OCCOc12
Show InChI InChI=1S/C24H26ClFN4O3/c1-24(2)8-6-13(7-9-24)27-22(31)14-12-17-19(21-20(14)32-10-11-33-21)30-23(28-17)29-18-15(25)4-3-5-16(18)26/h3-5,12-13H,6-11H2,1-2H3,(H,27,31)(H2,28,29,30)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207320
PNG
(CHEMBL3918689)
Show SMILES Cc1cc2c3[nH]c(Nc4c(F)cccc4Cl)nc3cc(C(=O)Nc3ccc(F)cc3)c2o1
Show InChI InChI=1S/C23H15ClF2N4O2/c1-11-9-14-19-18(28-23(29-19)30-20-16(24)3-2-4-17(20)26)10-15(21(14)32-11)22(31)27-13-7-5-12(25)6-8-13/h2-10H,1H3,(H,27,31)(H2,28,29,30)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207324
PNG
(CHEMBL3898125)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C24H16ClF5N4O3/c1-34-19-17(32-23(34)33-18-14(25)3-2-4-16(18)27)10-12(20-21(19)37-8-7-36-20)22(35)31-11-5-6-15(26)13(9-11)24(28,29)30/h2-6,9-10H,7-8H2,1H3,(H,31,35)(H,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207318
PNG
(CHEMBL3895356)
Show SMILES Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C24H17ClF4N4O3/c1-11-3-2-4-16(25)18(11)32-23-31-17-10-15(20-21(19(17)33-23)36-6-5-35-20)22(34)30-14-8-12(24(27,28)29)7-13(26)9-14/h2-4,7-10H,5-6H2,1H3,(H,30,34)(H2,31,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207329
PNG
(CHEMBL3984373)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)NC3CCC(C)(C)CC3)c3OCCOc3c12
Show InChI InChI=1S/C25H28ClFN4O3/c1-25(2)9-7-14(8-10-25)28-23(32)15-13-18-20(22-21(15)33-11-12-34-22)31(3)24(29-18)30-19-16(26)5-4-6-17(19)27/h4-6,13-14H,7-12H2,1-3H3,(H,28,32)(H,29,30)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207316
PNG
(CHEMBL3925606)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(F)c(c3)C(F)(F)F)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C23H14ClF5N4O3/c24-13-2-1-3-15(26)17(13)32-22-31-16-9-11(19-20(18(16)33-22)36-7-6-35-19)21(34)30-10-4-5-14(25)12(8-10)23(27,28)29/h1-5,8-9H,6-7H2,(H,30,34)(H2,31,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207328
PNG
(CHEMBL3909776)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C23H15ClF4N4O3/c24-14-2-1-3-15(25)17(14)31-22-30-16-10-13(19-20(18(16)32-22)35-9-8-34-19)21(33)29-12-6-4-11(5-7-12)23(26,27)28/h1-7,10H,8-9H2,(H,29,33)(H2,30,31,32)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207342
PNG
(CHEMBL3935630)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C23H15ClF4N4O3/c24-14-5-2-6-15(25)17(14)31-22-30-16-10-13(19-20(18(16)32-22)35-8-7-34-19)21(33)29-12-4-1-3-11(9-12)23(26,27)28/h1-6,9-10H,7-8H2,(H,29,33)(H2,30,31,32)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207326
PNG
(CHEMBL3891935)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3ncccc3c2[nH]1
Show InChI InChI=1S/C24H14ClF4N5O/c25-16-7-2-8-17(26)21(16)34-23-32-18-11-15(19-14(20(18)33-23)6-3-9-30-19)22(35)31-13-5-1-4-12(10-13)24(27,28)29/h1-11H,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207336
PNG
(CHEMBL3932436)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C24H17ClF4N4O3/c1-33-19-17(31-23(33)32-18-15(25)6-3-7-16(18)26)11-14(20-21(19)36-9-8-35-20)22(34)30-13-5-2-4-12(10-13)24(27,28)29/h2-7,10-11H,8-9H2,1H3,(H,30,34)(H,31,32)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207321
PNG
(CHEMBL3908580)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c3ncccc3c12
Show InChI InChI=1S/C25H16ClF4N5O/c1-35-22-15-7-4-10-31-20(15)16(23(36)32-14-6-2-5-13(11-14)25(28,29)30)12-19(22)33-24(35)34-21-17(26)8-3-9-18(21)27/h2-12H,1H3,(H,32,36)(H,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207319
PNG
(CHEMBL3949380)
Show SMILES COc1c(cc2nc(Nc3c(F)cccc3Cl)n(C)c2c1OC)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF5N4O3/c1-34-19-17(32-23(34)33-18-15(25)5-4-6-16(18)27)10-14(20(36-2)21(19)37-3)22(35)31-13-8-11(24(28,29)30)7-12(26)9-13/h4-10H,1-3H3,(H,31,35)(H,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207346
PNG
(CHEMBL3961512)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)NCc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C25H18ClF5N4O3/c1-35-20-18(33-24(35)34-19-16(26)3-2-4-17(19)28)10-15(21-22(20)38-6-5-37-21)23(36)32-11-12-7-13(25(29,30)31)9-14(27)8-12/h2-4,7-10H,5-6,11H2,1H3,(H,32,36)(H,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207345
PNG
(CHEMBL3944077)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(C#CC4CC4)c(F)c3)c3OCCOc3c12
Show InChI InChI=1S/C28H21ClF2N4O3/c1-35-24-22(33-28(35)34-23-19(29)3-2-4-20(23)30)14-18(25-26(24)38-12-11-37-25)27(36)32-17-10-9-16(21(31)13-17)8-7-15-5-6-15/h2-4,9-10,13-15H,5-6,11-12H2,1H3,(H,32,36)(H,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207338
PNG
(CHEMBL3935105)
Show SMILES CCn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1S/C25H18ClF5N4O3/c1-2-35-20-18(33-24(35)34-19-16(26)4-3-5-17(19)28)11-15(21-22(20)38-7-6-37-21)23(36)32-14-9-12(25(29,30)31)8-13(27)10-14/h3-5,8-11H,2,6-7H2,1H3,(H,32,36)(H,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50227631
PNG
(2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...)
Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207317
PNG
(CHEMBL3955759)
Show SMILES CC1(C)CCC(CC1)NC(=O)c1cc2nc(Nc3c(F)cccc3Cl)[nH]c2c2OCCOc12
Show InChI InChI=1S/C24H26ClFN4O3/c1-24(2)8-6-13(7-9-24)27-22(31)14-12-17-19(21-20(14)32-10-11-33-21)30-23(28-17)29-18-15(25)4-3-5-16(18)26/h3-5,12-13H,6-11H2,1-2H3,(H,27,31)(H2,28,29,30)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207327
PNG
(CHEMBL3987179)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)N[C@H]3CC[C@@H](CC3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1/C24H23ClF4N4O3/c1-33-19-17(31-23(33)32-18-15(25)3-2-4-16(18)26)11-14(20-21(19)36-10-9-35-20)22(34)30-13-7-5-12(6-8-13)24(27,28)29/h2-4,11-13H,5-10H2,1H3,(H,30,34)(H,31,32)/t12-,13-
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in interleukin-1 beta-induced PGE2 production incubated for 30 mins followed by IL-1b...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207340
PNG
(CHEMBL3934012)
Show SMILES Fc1cc(CNC(=O)c2cc3nc(Nc4c(F)cccc4Cl)[nH]c3c3OCCOc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C24H16ClF5N4O3/c25-15-2-1-3-16(27)18(15)33-23-32-17-9-14(20-21(19(17)34-23)37-5-4-36-20)22(35)31-10-11-6-12(24(28,29)30)8-13(26)7-11/h1-3,6-9H,4-5,10H2,(H,31,35)(H2,32,33,34)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207332
PNG
(CHEMBL3976312)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)NC[C@H]3CC[C@@H](CC3)C(F)(F)F)c3OCCOc3c12
Show InChI InChI=1/C25H25ClF4N4O3/c1-34-20-18(32-24(34)33-19-16(26)3-2-4-17(19)27)11-15(21-22(20)37-10-9-36-21)23(35)31-12-13-5-7-14(8-6-13)25(28,29)30/h2-4,11,13-14H,5-10,12H2,1H3,(H,31,35)(H,32,33)/t13-,14-
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207339
PNG
(CHEMBL3925125)
Show SMILES Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(nc3)C#CC3CC3)c3OCCOc3c2[nH]1
Show InChI InChI=1S/C26H19ClFN5O3/c27-18-2-1-3-19(28)21(18)32-26-31-20-12-17(23-24(22(20)33-26)36-11-10-35-23)25(34)30-16-9-8-15(29-13-16)7-6-14-4-5-14/h1-3,8-9,12-14H,4-5,10-11H2,(H,30,34)(H2,31,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50207330
PNG
(CHEMBL3952826)
Show SMILES Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3ccc(nc3)C#CC3CC3)c3OCCOc3c12
Show InChI InChI=1S/C27H21ClFN5O3/c1-34-23-21(32-27(34)33-22-19(28)3-2-4-20(22)29)13-18(24-25(23)37-12-11-36-24)26(35)31-17-10-9-16(30-14-17)8-7-15-5-6-15/h2-4,9-10,13-15H,5-6,11-12H2,1H3,(H,31,35)(H,32,33)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mPGES-1 expressed in CHO cells assessed as reduction in conversion of PGH2 to PGE2 incubated for 10 mins followed by ...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
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