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Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'kakiguchi' and Initial = 'k'   
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))
BDBM50434670
PNG
(CHEMBL2387587)
Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-4-1-3-11(9-13)12-7-8-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)5-2-6-16(18)25/h1-10H,(H,26,29)(H,27,28)
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n/an/a 2.5n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434669
PNG
(CHEMBL2387588)
Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-7-4-11(5-8-13)12-6-9-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)2-1-3-16(18)25/h1-10H,(H,26,29)(H,27,28)
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n/an/a 3.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434668
PNG
(CHEMBL2387503)
Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
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 4.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434671
PNG
(CHEMBL2387507)
Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1Cl
Show InChI InChI=1S/C22H12Cl2FN3O/c23-14-5-2-1-4-12(14)11-8-9-13-17(10-11)26-22(29)20-19(13)27-21(28-20)18-15(24)6-3-7-16(18)25/h1-10H,(H,26,29)(H,27,28)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434673
PNG
(CHEMBL2387505)
Show SMILES Cc1cccc(c1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C23H15ClFN3O/c1-12-4-2-5-13(10-12)14-8-9-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)6-3-7-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434685
PNG
(CHEMBL2387599)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H14ClN3O/c23-17-9-5-4-8-15(17)21-25-19-16-11-10-14(13-6-2-1-3-7-13)12-18(16)24-22(27)20(19)26-21/h1-12H,(H,24,27)(H,25,26)
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n/an/a 7.90n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434672
PNG
(CHEMBL2387506)
Show SMILES Cc1ccc(cc1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-7-13(8-6-12)14-9-10-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)3-2-4-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28)
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n/an/a 8.30n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360832
PNG
(CHEMBL1934810)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Br)ccc21
Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360832
PNG
(CHEMBL1934810)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Br)ccc21
Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
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n/an/a 9.10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434674
PNG
(CHEMBL2387504)
Show SMILES Cc1ccccc1-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-2-3-6-14(12)13-9-10-15-18(11-13)26-23(29)21-20(15)27-22(28-21)19-16(24)7-4-8-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28)
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n/an/a 9.90n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434675
PNG
(CHEMBL2387502)
Show SMILES [O-][N+](=O)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H13ClN4O3/c23-15-7-4-8-17(27(29)30)18(15)21-25-19-14-10-9-13(12-5-2-1-3-6-12)11-16(14)24-22(28)20(19)26-21/h1-11H,(H,24,28)(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434676
PNG
(CHEMBL2387501)
Show SMILES FC(F)(F)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C23H13ClF3N3O/c24-16-8-4-7-15(23(25,26)27)18(16)21-29-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)28-22(31)20(19)30-21/h1-11H,(H,28,31)(H,29,30)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434677
PNG
(CHEMBL2387500)
Show SMILES Cc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C23H16ClN3O/c1-13-6-5-9-17(24)19(13)22-26-20-16-11-10-15(14-7-3-2-4-8-14)12-18(16)25-23(28)21(20)27-22/h2-12H,1H3,(H,25,28)(H,26,27)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434688
PNG
(CHEMBL2387596)
Show SMILES CCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H18ClN3O/c1-2-3-6-12-9-10-14-16(11-12)22-20(25)18-17(14)23-19(24-18)13-7-4-5-8-15(13)21/h4-5,7-11H,2-3,6H2,1H3,(H,22,25)(H,23,24)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434684
PNG
(CHEMBL2387600)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Cc3ccccc3)ccc21
Show InChI InChI=1S/C23H16ClN3O/c24-18-9-5-4-8-16(18)22-26-20-17-11-10-15(12-14-6-2-1-3-7-14)13-19(17)25-23(28)21(20)27-22/h1-11,13H,12H2,(H,25,28)(H,26,27)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434681
PNG
(CHEMBL2387603)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccs1
Show InChI InChI=1S/C20H12ClN3OS/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434683
PNG
(CHEMBL2387601)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(CCc3ccccc3)ccc21
Show InChI InChI=1S/C24H18ClN3O/c25-19-9-5-4-8-17(19)23-27-21-18-13-12-16(11-10-15-6-2-1-3-7-15)14-20(18)26-24(29)22(21)28-23/h1-9,12-14H,10-11H2,(H,26,29)(H,27,28)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434680
PNG
(CHEMBL2387604)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccco1
Show InChI InChI=1S/C20H12ClN3O2/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24)
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n/an/a 22n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434694
PNG
(CHEMBL2387590)
Show SMILES Clc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
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n/an/a 27n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50431411
PNG
(CHEMBL2348040)
Show SMILES CSc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C17H11BrClN3S/c1-23-17-15-14(11-7-6-9(18)8-13(11)20-17)21-16(22-15)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,21,22)
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n/an/a 31n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...


Bioorg Med Chem 21: 2068-78 (2013)


Article DOI: 10.1016/j.bmc.2013.01.018
BindingDB Entry DOI: 10.7270/Q2XW4M55
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434682
PNG
(CHEMBL2387602)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H16ClN3O/c27-21-8-4-3-7-19(21)25-29-23-20-12-11-18(14-22(20)28-26(31)24(23)30-25)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,28,31)(H,29,30)
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n/an/a 32n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434668
PNG
(CHEMBL2387503)
Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27)
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n/an/a 33n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1-mediated PGE2 release in IL1alpha-stimulated human A549 cells


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434689
PNG
(CHEMBL2387595)
Show SMILES CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23)
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n/an/a 47n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434687
PNG
(CHEMBL2387597)
Show SMILES CCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClN3O/c1-2-3-4-7-13-10-11-15-17(12-13)23-21(26)19-18(15)24-20(25-19)14-8-5-6-9-16(14)22/h5-6,8-12H,2-4,7H2,1H3,(H,23,26)(H,24,25)
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n/an/a 53n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50431410
PNG
(CHEMBL2348041)
Show SMILES CCSc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C18H13BrClN3S/c1-2-24-18-16-15(12-8-7-10(19)9-14(12)21-18)22-17(23-16)11-5-3-4-6-13(11)20/h3-9H,2H2,1H3,(H,22,23)
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n/an/a 59n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...


Bioorg Med Chem 21: 2068-78 (2013)


Article DOI: 10.1016/j.bmc.2013.01.018
BindingDB Entry DOI: 10.7270/Q2XW4M55
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360830
PNG
(CHEMBL1934808)
Show SMILES COc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C17H11BrClN3O/c1-23-17-15-14(11-7-6-9(18)8-13(11)20-17)21-16(22-15)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,21,22)
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n/an/a 62n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434686
PNG
(CHEMBL2387598)
Show SMILES CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(H,24,27)(H,25,26)
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n/an/a 70n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50431412
PNG
(CHEMBL2348039)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=S)[nH]c1cc(Br)ccc21
Show InChI InChI=1S/C16H9BrClN3S/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
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n/an/a 83n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...


Bioorg Med Chem 21: 2068-78 (2013)


Article DOI: 10.1016/j.bmc.2013.01.018
BindingDB Entry DOI: 10.7270/Q2XW4M55
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50431409
PNG
(CHEMBL2348042)
Show SMILES Cn1c2cc(Br)ccc2c2nc([nH]c2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C17H11BrClN3O/c1-22-13-8-9(18)6-7-11(13)14-15(17(22)23)21-16(20-14)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,20,21)
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n/an/a 85n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...


Bioorg Med Chem 21: 2068-78 (2013)


Article DOI: 10.1016/j.bmc.2013.01.018
BindingDB Entry DOI: 10.7270/Q2XW4M55
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434690
PNG
(CHEMBL2387594)
Show SMILES CCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C18H14ClN3O/c1-2-10-7-8-12-14(9-10)20-18(23)16-15(12)21-17(22-16)11-5-3-4-6-13(11)19/h3-9H,2H2,1H3,(H,20,23)(H,21,22)
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n/an/a 98n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50431408
PNG
(CHEMBL2348043)
Show SMILES CCn1c2cc(Br)ccc2c2nc([nH]c2c1=O)-c1ccccc1Cl
Show InChI InChI=1S/C18H13BrClN3O/c1-2-23-14-9-10(19)7-8-12(14)15-16(18(23)24)22-17(21-15)11-5-3-4-6-13(11)20/h3-9H,2H2,1H3,(H,21,22)
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n/an/a 106n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...


Bioorg Med Chem 21: 2068-78 (2013)


Article DOI: 10.1016/j.bmc.2013.01.018
BindingDB Entry DOI: 10.7270/Q2XW4M55
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360831
PNG
(CHEMBL1934809)
Show SMILES CCOc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C18H13BrClN3O/c1-2-24-18-16-15(12-8-7-10(19)9-14(12)21-18)22-17(23-16)11-5-3-4-6-13(11)20/h3-9H,2H2,1H3,(H,22,23)
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n/an/a 108n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360829
PNG
(CHEMBL1934807)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(OCc1ccccc1)nc1cc(Br)ccc21
Show InChI InChI=1S/C23H15BrClN3O/c24-15-10-11-17-19(12-15)26-23(29-13-14-6-2-1-3-7-14)21-20(17)27-22(28-21)16-8-4-5-9-18(16)25/h1-12H,13H2,(H,27,28)
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n/an/a 172n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434693
PNG
(CHEMBL2387591)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1ccc(Br)cc21
Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
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n/an/a 198n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50431407
PNG
(CHEMBL2348044)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)n(Cc1ccccc1)c1cc(Br)ccc21
Show InChI InChI=1S/C23H15BrClN3O/c24-15-10-11-17-19(12-15)28(13-14-6-2-1-3-7-14)23(29)21-20(17)26-22(27-21)16-8-4-5-9-18(16)25/h1-12H,13H2,(H,26,27)
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n/an/a 226n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...


Bioorg Med Chem 21: 2068-78 (2013)


Article DOI: 10.1016/j.bmc.2013.01.018
BindingDB Entry DOI: 10.7270/Q2XW4M55
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434691
PNG
(CHEMBL2387593)
Show SMILES Cc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C17H12ClN3O/c1-9-6-7-11-13(8-9)19-17(22)15-14(11)20-16(21-15)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,22)(H,20,21)
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n/an/a 241n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360813
PNG
(CHEMBL1934791)
Show SMILES Clc1ccccc1-c1nc2c(cnc3cc(Br)ccc23)[nH]1
Show InChI InChI=1S/C16H9BrClN3/c17-9-5-6-11-13(7-9)19-8-14-15(11)21-16(20-14)10-3-1-2-4-12(10)18/h1-8H,(H,20,21)
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n/an/a 251n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360828
PNG
(CHEMBL1934806)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(OC1CCCCC1)nc1cc(Br)ccc21
Show InChI InChI=1S/C22H19BrClN3O/c23-13-10-11-16-18(12-13)25-22(28-14-6-2-1-3-7-14)20-19(16)26-21(27-20)15-8-4-5-9-17(15)24/h4-5,8-12,14H,1-3,6-7H2,(H,26,27)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360827
PNG
(CHEMBL1934805)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(Oc1ccccc1)nc1cc(Br)ccc21
Show InChI InChI=1S/C22H13BrClN3O/c23-13-10-11-16-18(12-13)25-22(28-14-6-2-1-3-7-14)20-19(16)26-21(27-20)15-8-4-5-9-17(15)24/h1-12H,(H,26,27)
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n/an/a 330n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50431413
PNG
(CHEMBL2348038)
Show SMILES CN(C)c1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C18H14BrClN4/c1-24(2)18-16-15(12-8-7-10(19)9-14(12)21-18)22-17(23-16)11-5-3-4-6-13(11)20/h3-9H,1-2H3,(H,22,23)
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n/an/a 387n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...


Bioorg Med Chem 21: 2068-78 (2013)


Article DOI: 10.1016/j.bmc.2013.01.018
BindingDB Entry DOI: 10.7270/Q2XW4M55
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360816
PNG
(CHEMBL1934794)
Show SMILES Cc1ccccc1-c1nc2c(cnc3cc(Br)ccc23)[nH]1
Show InChI InChI=1S/C17H12BrN3/c1-10-4-2-3-5-12(10)17-20-15-9-19-14-8-11(18)6-7-13(14)16(15)21-17/h2-9H,1H3,(H,20,21)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434692
PNG
(CHEMBL2387592)
Show SMILES Clc1ccc2[nH]c(=O)c3[nH]c(nc3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
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n/an/a 434n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360819
PNG
(CHEMBL1934797)
Show SMILES Brc1ccc2c3nc([nH]c3cnc2c1)-c1ccccc1Br
Show InChI InChI=1S/C16H9Br2N3/c17-9-5-6-11-13(7-9)19-8-14-15(11)21-16(20-14)10-3-1-2-4-12(10)18/h1-8H,(H,20,21)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50431414
PNG
(CHEMBL2348037)
Show SMILES CNc1nc2cc(Br)ccc2c2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C17H12BrClN4/c1-20-17-15-14(11-7-6-9(18)8-13(11)21-17)22-16(23-15)10-4-2-3-5-12(10)19/h2-8H,1H3,(H,20,21)(H,22,23)
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n/an/a 631n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin) transfected in HEK293 cells co-expressing COX1 using arachidonic acid as substrate assessed as inhibition of PG...


Bioorg Med Chem 21: 2068-78 (2013)


Article DOI: 10.1016/j.bmc.2013.01.018
BindingDB Entry DOI: 10.7270/Q2XW4M55
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360823
PNG
(CHEMBL1934801)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc2c(cnc3cc(Br)ccc23)[nH]1
Show InChI InChI=1S/C16H9BrN4O2/c17-9-5-6-10-12(7-9)18-8-13-15(10)20-16(19-13)11-3-1-2-4-14(11)21(22)23/h1-8H,(H,19,20)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360824
PNG
(CHEMBL1934802)
Show SMILES Brc1ccc2c3nc([nH]c3cnc2c1)-c1ccccc1C#N
Show InChI InChI=1S/C17H9BrN4/c18-11-5-6-13-14(7-11)20-9-15-16(13)22-17(21-15)12-4-2-1-3-10(12)8-19/h1-7,9H,(H,21,22)
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n/an/a 687n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50360832
PNG
(CHEMBL1934810)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Br)ccc21
Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50360814
PNG
(CHEMBL1934792)
Show SMILES Clc1cccc(c1)-c1nc2c(cnc3cc(Br)ccc23)[nH]1
Show InChI InChI=1S/C16H9BrClN3/c17-10-4-5-12-13(7-10)19-8-14-15(12)21-16(20-14)9-2-1-3-11(18)6-9/h1-8H,(H,20,21)
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n/an/a 859n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of microsomal PGES1 transfected in human HEK293 cells assessed as PGE2 production after 60 mins by HTRF assay


Bioorg Med Chem Lett 22: 285-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.015
BindingDB Entry DOI: 10.7270/Q2PR7WFN
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50434695
PNG
(CHEMBL2387589)
Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C16H10ClN3O/c17-11-7-3-1-5-9(11)15-19-13-10-6-2-4-8-12(10)18-16(21)14(13)20-15/h1-8H,(H,18,21)(H,19,20)
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Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
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