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Patent code US9216968

Compile Data Set for Download or QSAR

Found 239 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostaglandin 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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US Patent
 0.100n/a 0.100n/an/an/an/an/an/a



NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197590
PNG
(US9216968, 190 | US9732066, 190)
Show SMILES COCC(C)(C)CNc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C28H28Cl3N5O3/c1-15-20(30)6-5-7-22(15)34-26(38)19-11-17(33-25(37)18-10-16(29)8-9-21(18)31)12-23-24(19)36-27(35-23)32-13-28(2,3)14-39-4/h5-12H,13-14H2,1-4H3,(H,33,37)(H,34,38)(H2,32,35,36)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197627
PNG
(US9216968, 227 | US9732066, 227)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccs1
Show InChI InChI=1S/C22H17F3N4O3S/c1-32-11-17-27-16-10-12(26-20(30)13-5-2-3-6-15(13)22(23,24)25)9-14(19(16)28-17)21(31)29-18-7-4-8-33-18/h2-10H,11H2,1H3,(H,26,30)(H,27,28)(H,29,31)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197540
PNG
(US9216968, 140 | US9732066, 140)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCC(C)(C)C)nc12
Show InChI InChI=1S/C28H27ClF3N5O2/c1-15-20(29)10-7-11-21(15)35-25(39)18-12-16(13-22-23(18)37-26(36-22)33-14-27(2,3)4)34-24(38)17-8-5-6-9-19(17)28(30,31)32/h5-13H,14H2,1-4H3,(H,34,38)(H,35,39)(H2,33,36,37)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197477
PNG
(US9216968, 76 | US9732066, 76)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C(C)(C)C
Show InChI InChI=1S/C27H24ClF3N4O2/c1-14-19(28)10-7-11-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)26(2,3)4)32-23(36)16-8-5-6-9-18(16)27(29,30)31/h5-13H,1-4H3,(H,32,36)(H,33,37)(H,34,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197535
PNG
(US9216968, 135 | US9732066, 135)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(Cl)nc12
Show InChI InChI=1S/C23H15Cl2F3N4O2/c1-11-16(24)7-4-8-17(11)30-21(34)14-9-12(10-18-19(14)32-22(25)31-18)29-20(33)13-5-2-3-6-15(13)23(26,27)28/h2-10H,1H3,(H,29,33)(H,30,34)(H,31,32)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197564
PNG
(US9216968, 164 | US9732066, 164)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)N1CCCC1
Show InChI InChI=1S/C27H23ClF3N5O2/c1-15-20(28)9-6-10-21(15)33-25(38)18-13-16(14-22-23(18)35-26(34-22)36-11-4-5-12-36)32-24(37)17-7-2-3-8-19(17)27(29,30)31/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,32,37)(H,33,38)(H,34,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197576
PNG
(US9216968, 176 | US9732066, 176)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCCOC(C)(C)C)nc12
Show InChI InChI=1S/C29H29ClF3N5O3/c1-16-21(30)10-7-11-22(16)36-26(40)19-14-17(35-25(39)18-8-5-6-9-20(18)29(31,32)33)15-23-24(19)38-27(37-23)34-12-13-41-28(2,3)4/h5-11,14-15H,12-13H2,1-4H3,(H,35,39)(H,36,40)(H2,34,37,38)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197593
PNG
(US9216968, 193 | US9732066, 193)
Show SMILES CC(C)OCCNc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C27H26Cl3N5O3/c1-14(2)38-10-9-31-27-34-23-13-17(32-25(36)18-11-16(28)7-8-21(18)30)12-19(24(23)35-27)26(37)33-22-6-4-5-20(29)15(22)3/h4-8,11-14H,9-10H2,1-3H3,(H,32,36)(H,33,37)(H2,31,34,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197541
PNG
(US9216968, 141 | US9732066, 141)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NC3CCCC3)nc12
Show InChI InChI=1S/C28H25ClF3N5O2/c1-15-21(29)11-6-12-22(15)35-26(39)19-13-17(33-25(38)18-9-4-5-10-20(18)28(30,31)32)14-23-24(19)37-27(36-23)34-16-7-2-3-8-16/h4-6,9-14,16H,2-3,7-8H2,1H3,(H,33,38)(H,35,39)(H2,34,36,37)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197594
PNG
(US9216968, 194 | US9732066, 194)
Show SMILES CC(C)OCCNc1nc2c(cc(NC(=O)c3c(F)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C27H26Cl2FN5O3/c1-14(2)38-11-10-31-27-34-22-13-16(32-26(37)23-19(29)7-4-8-20(23)30)12-17(24(22)35-27)25(36)33-21-9-5-6-18(28)15(21)3/h4-9,12-14H,10-11H2,1-3H3,(H,32,37)(H,33,36)(H2,31,34,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197483
PNG
(US9216968, 82 | US9732066, 82)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(CC(C)(C)C)nc12
Show InChI InChI=1S/C28H26ClF3N4O2/c1-15-20(29)10-7-11-21(15)35-26(38)18-12-16(13-22-24(18)36-23(34-22)14-27(2,3)4)33-25(37)17-8-5-6-9-19(17)28(30,31)32/h5-13H,14H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197542
PNG
(US9216968, 142 | US9732066, 142)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)N1CCCCC1
Show InChI InChI=1S/C28H25ClF3N5O2/c1-16-21(29)10-7-11-22(16)34-26(39)19-14-17(33-25(38)18-8-3-4-9-20(18)28(30,31)32)15-23-24(19)36-27(35-23)37-12-5-2-6-13-37/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,33,38)(H,34,39)(H,35,36)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197458
PNG
(US9216968, 57 | US9732066, 57)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C(C)(C)CCl
Show InChI InChI=1S/C27H23Cl2F3N4O2/c1-14-19(29)9-6-10-20(14)34-24(38)17-11-15(12-21-22(17)36-25(35-21)26(2,3)13-28)33-23(37)16-7-4-5-8-18(16)27(30,31)32/h4-12H,13H2,1-3H3,(H,33,37)(H,34,38)(H,35,36)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197486
PNG
(US9216968, 85 | US9732066, 85)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C1(C)CC1
Show InChI InChI=1S/C27H22ClF3N4O2/c1-14-19(28)8-5-9-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)26(2)10-11-26)32-23(36)16-6-3-4-7-18(16)27(29,30)31/h3-9,12-13H,10-11H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197601
PNG
(US9216968, 201 | US9732066, 201)
Show SMILES CC(C)C(CO)Nc1nc2c(cc(NC(=O)c3c(F)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197608
PNG
(US9216968, 208 | US9732066, 208)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(nc12)C1CC1
Show InChI InChI=1S/C25H19Cl3N4O2/c1-12-18(27)3-2-4-20(12)31-25(34)17-10-15(11-21-22(17)32-23(30-21)13-5-6-13)29-24(33)16-9-14(26)7-8-19(16)28/h2-4,7-11,13H,5-6H2,1H3,(H,29,33)(H,30,32)(H,31,34)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197485
PNG
(US9216968, 84 | US9732066, 84)
Show SMILES CCCC(C)(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C29H28ClF3N4O2/c1-5-13-28(3,4)27-36-23-15-17(34-25(38)18-9-6-7-10-20(18)29(31,32)33)14-19(24(23)37-27)26(39)35-22-12-8-11-21(30)16(22)2/h6-12,14-15H,5,13H2,1-4H3,(H,34,38)(H,35,39)(H,36,37)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197613
PNG
(US9216968, 213 | US9732066, 213)
Show SMILES COCCc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C25H21Cl3N4O3/c1-13-3-5-15(11-20(13)28)29-25(34)18-10-16(12-21-23(18)32-22(31-21)7-8-35-2)30-24(33)17-9-14(26)4-6-19(17)27/h3-6,9-12H,7-8H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197487
PNG
(US9216968, 86 | US9732066, 86)
Show SMILES Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3C(F)(F)F)cc3[nH]c(nc23)C(C)(C)C)cc1Cl
Show InChI InChI=1S/C27H24ClF3N4O2/c1-14-9-10-15(12-20(14)28)32-24(37)18-11-16(13-21-22(18)35-25(34-21)26(2,3)4)33-23(36)17-7-5-6-8-19(17)27(29,30)31/h5-13H,1-4H3,(H,32,37)(H,33,36)(H,34,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197584
PNG
(US9216968, 184 | US9732066, 184)
Show SMILES CN(C)c1nc2c(cc(NC(=O)c3ccc(Cl)cc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H20Cl3N5O2/c1-12-17(26)5-4-6-19(12)29-23(34)16-10-14(11-20-21(16)31-24(30-20)32(2)3)28-22(33)15-8-7-13(25)9-18(15)27/h4-11H,1-3H3,(H,28,33)(H,29,34)(H,30,31)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197567
PNG
(US9216968, 167 | US9732066, 167)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCC(C)(C)O)nc12
Show InChI InChI=1S/C27H25ClF3N5O3/c1-14-19(28)9-6-10-20(14)34-24(38)17-11-15(12-21-22(17)36-25(35-21)32-13-26(2,3)39)33-23(37)16-7-4-5-8-18(16)27(29,30)31/h4-12,39H,13H2,1-3H3,(H,33,37)(H,34,38)(H2,32,35,36)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197609
PNG
(US9216968, 209 | US9732066, 209)
Show SMILES Cc1ccc(NC(=O)c2cc(NC(=O)c3cc(Cl)ccc3Cl)cc3[nH]c(nc23)C2CC2)cc1Cl
Show InChI InChI=1S/C25H19Cl3N4O2/c1-12-2-6-15(10-20(12)28)29-25(34)18-9-16(11-21-22(18)32-23(31-21)13-3-4-13)30-24(33)17-8-14(26)5-7-19(17)27/h2,5-11,13H,3-4H2,1H3,(H,29,34)(H,30,33)(H,31,32)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197528
PNG
(US9216968, 128 | US9732066, 128)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(Cl)cccc2Cl)cc2[nH]c(nc12)[C@H]1CCCO1 |r|
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197604
PNG
(US9216968, 204 | US9732066, 204)
Show SMILES CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc2CCCc2c1
Show InChI InChI=1S/C27H24F3N5O2/c1-35(2)26-33-22-14-18(32-24(36)19-8-3-4-9-21(19)27(28,29)30)13-20(23(22)34-26)25(37)31-17-11-10-15-6-5-7-16(15)12-17/h3-4,8-14H,5-7H2,1-2H3,(H,31,37)(H,32,36)(H,33,34)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197549
PNG
(US9216968, 149 | US9732066, 149)
Show SMILES CN(C)[C@H]1CCN(C1)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C |r|
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197580
PNG
(US9216968, 180 | US9732066, 180)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)S(C)(=O)=O
Show InChI InChI=1S/C24H18ClF3N4O4S/c1-12-17(25)8-5-9-18(12)30-22(34)15-10-13(11-19-20(15)32-23(31-19)37(2,35)36)29-21(33)14-6-3-4-7-16(14)24(26,27)28/h3-11H,1-2H3,(H,29,33)(H,30,34)(H,31,32)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197581
PNG
(US9216968, 181 | US9732066, 181)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)S(C)=O
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n/an/a 1.10n/an/an/an/an/an/a



NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197573
PNG
(US9216968, 173 | US9732066, 173)
Show SMILES COCC(C)(C)CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C30H31ClF3N5O3/c1-17-22(31)11-8-12-23(17)36-27(41)20-13-18(35-26(40)19-9-6-7-10-21(19)30(32,33)34)14-24-25(20)38-28(37-24)39(4)15-29(2,3)16-42-5/h6-14H,15-16H2,1-5H3,(H,35,40)(H,36,41)(H,37,38)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197578
PNG
(US9216968, 178 | US9732066, 178)
Show SMILES CSCCNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C26H23ClF3N5O2S/c1-14-19(27)8-5-9-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)31-10-11-38-2)32-23(36)16-6-3-4-7-18(16)26(28,29)30/h3-9,12-13H,10-11H2,1-2H3,(H,32,36)(H,33,37)(H2,31,34,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197490
PNG
(US9216968, 89 | US9732066, 89)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C1(CC1)C(F)(F)F
Show InChI InChI=1S/C27H19ClF6N4O2/c1-13-18(28)7-4-8-19(13)36-23(40)16-11-14(35-22(39)15-5-2-3-6-17(15)26(29,30)31)12-20-21(16)38-24(37-20)25(9-10-25)27(32,33)34/h2-8,11-12H,9-10H2,1H3,(H,35,39)(H,36,40)(H,37,38)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197565
PNG
(US9216968, 165 | US9732066, 165)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)N1CCC1
Show InChI InChI=1S/C26H21ClF3N5O2/c1-14-19(27)8-4-9-20(14)32-24(37)17-12-15(13-21-22(17)34-25(33-21)35-10-5-11-35)31-23(36)16-6-2-3-7-18(16)26(28,29)30/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,31,36)(H,32,37)(H,33,34)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197589
PNG
(US9216968, 189 | US9732066, 189)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(NCC(C)(C)CO)nc12
Show InChI InChI=1S/C27H26Cl3N5O3/c1-14-19(29)5-4-6-21(14)33-25(38)18-10-16(32-24(37)17-9-15(28)7-8-20(17)30)11-22-23(18)35-26(34-22)31-12-27(2,3)13-36/h4-11,36H,12-13H2,1-3H3,(H,32,37)(H,33,38)(H2,31,34,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197603
PNG
(US9216968, 203 | US9732066, 203)
Show SMILES CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H28F3N5O2/c1-27(2,3)16-10-12-17(13-11-16)32-25(38)20-14-18(15-22-23(20)35-26(34-22)36(4)5)33-24(37)19-8-6-7-9-21(19)28(29,30)31/h6-15H,1-5H3,(H,32,38)(H,33,37)(H,34,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197508
PNG
(US9216968, 107 | US9732066, 107)
Show SMILES COCc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Br)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H19BrCl2N4O3/c1-12-18(27)4-3-5-19(12)30-24(33)16-9-14(10-20-22(16)31-21(29-20)11-34-2)28-23(32)15-8-13(26)6-7-17(15)25/h3-10H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197405
PNG
(US9216968, 3 | US9732066, 3)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]cnc12
Show InChI InChI=1S/C23H16ClF3N4O2/c1-12-17(24)7-4-8-18(12)31-22(33)15-9-13(10-19-20(15)29-11-28-19)30-21(32)14-5-2-3-6-16(14)23(25,26)27/h2-11H,1H3,(H,28,29)(H,30,32)(H,31,33)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197503
PNG
(US9216968, 102 | US9732066, 102)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3Br)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H19BrCl2N4O3/c1-12-16(26)6-4-8-18(12)30-23(32)14-9-13(10-19-22(14)31-20(29-19)11-34-2)28-24(33)21-15(25)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197545
PNG
(US9216968, 145 | US9732066, 145)
Show SMILES CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H21ClF3N5O2/c1-13-18(26)9-6-10-19(13)31-23(36)16-11-14(12-20-21(16)33-24(32-20)34(2)3)30-22(35)15-7-4-5-8-17(15)25(27,28)29/h4-12H,1-3H3,(H,30,35)(H,31,36)(H,32,33)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197556
PNG
(US9216968, 156 | US9732066, 156)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)N1CCOCC1
Show InChI InChI=1S/C27H23ClF3N5O3/c1-15-20(28)7-4-8-21(15)33-25(38)18-13-16(32-24(37)17-5-2-3-6-19(17)27(29,30)31)14-22-23(18)35-26(34-22)36-9-11-39-12-10-36/h2-8,13-14H,9-12H2,1H3,(H,32,37)(H,33,38)(H,34,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197582
PNG
(US9216968, 182 | US9732066, 182)
Show SMILES CN(C)c1nc2c(cc(NC(=O)c3c(F)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H20Cl2FN5O2/c1-12-15(25)6-5-9-18(12)29-22(33)14-10-13(11-19-21(14)31-24(30-19)32(2)3)28-23(34)20-16(26)7-4-8-17(20)27/h4-11H,1-3H3,(H,28,34)(H,29,33)(H,30,31)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197628
PNG
(US9216968, 228 | US9732066, 228)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C25H17ClF3N5O4/c1-37-11-20-31-18-10-13(30-22(35)14-4-2-3-5-16(14)25(27,28)29)9-15(21(18)33-20)23(36)34-24-32-17-8-12(26)6-7-19(17)38-24/h2-10H,11H2,1H3,(H,30,35)(H,31,33)(H,32,34,36)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197478
PNG
(US9216968, 77 | US9732066, 77)
Show SMILES CC(C)(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ncccc1C(F)(F)F
Show InChI InChI=1S/C27H23F6N5O2/c1-25(2,3)24-37-19-12-14(36-23(40)15-7-4-5-8-17(15)26(28,29)30)11-16(21(19)38-24)22(39)35-13-20-18(27(31,32)33)9-6-10-34-20/h4-12H,13H2,1-3H3,(H,35,39)(H,36,40)(H,37,38)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197431
PNG
(US9216968, 30 | US9732066, 30)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc(C)cc1Cl
Show InChI InChI=1S/C25H20ClF3N4O3/c1-13-7-8-19(18(26)9-13)32-24(35)16-10-14(11-20-22(16)33-21(31-20)12-36-2)30-23(34)15-5-3-4-6-17(15)25(27,28)29/h3-11H,12H2,1-2H3,(H,30,34)(H,31,33)(H,32,35)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197630
PNG
(US9216968, 230 | US9732066, 230)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C27H20F3N5O3/c1-38-14-22-33-21-13-16(32-25(36)17-8-2-3-9-19(17)27(28,29)30)12-18(24(21)35-22)26(37)34-20-10-4-6-15-7-5-11-31-23(15)20/h2-13H,14H2,1H3,(H,32,36)(H,33,35)(H,34,37)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197583
PNG
(US9216968, 183 | US9732066, 183)
Show SMILES CN(C)c1nc2c(cc(NC(=O)c3c(Cl)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H20Cl3N5O2/c1-12-15(25)6-5-9-18(12)29-22(33)14-10-13(11-19-21(14)31-24(30-19)32(2)3)28-23(34)20-16(26)7-4-8-17(20)27/h4-11H,1-3H3,(H,28,34)(H,29,33)(H,30,31)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197631
PNG
(US9216968, 231 | US9732066, 231)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCC1CCCCCC1
Show InChI InChI=1S/C26H29F3N4O3/c1-36-15-22-32-21-13-17(31-25(35)18-10-6-7-11-20(18)26(27,28)29)12-19(23(21)33-22)24(34)30-14-16-8-4-2-3-5-9-16/h6-7,10-13,16H,2-5,8-9,14-15H2,1H3,(H,30,34)(H,31,35)(H,32,33)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197539
PNG
(US9216968, 139 | US9732066, 139)
Show SMILES CCNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H21ClF3N5O2/c1-3-30-24-33-20-12-14(31-22(35)15-7-4-5-8-17(15)25(27,28)29)11-16(21(20)34-24)23(36)32-19-10-6-9-18(26)13(19)2/h4-12H,3H2,1-2H3,(H,31,35)(H,32,36)(H2,30,33,34)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197548
PNG
(US9216968, 148 | US9732066, 148)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)N1CC(O)C1
Show InChI InChI=1S/C26H21ClF3N5O3/c1-13-19(27)7-4-8-20(13)32-24(38)17-9-14(10-21-22(17)34-25(33-21)35-11-15(36)12-35)31-23(37)16-5-2-3-6-18(16)26(28,29)30/h2-10,15,36H,11-12H2,1H3,(H,31,37)(H,32,38)(H,33,34)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197619
PNG
(US9216968, 219 | US9732066, 219)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C28H21F3N4O3/c1-38-15-24-33-23-14-17(32-26(36)19-10-4-5-11-21(19)28(29,30)31)13-20(25(23)35-24)27(37)34-22-12-6-8-16-7-2-3-9-18(16)22/h2-14H,15H2,1H3,(H,32,36)(H,33,35)(H,34,37)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))		BDBM197574
PNG
(US9216968, 174 | US9732066, 174)
Show SMILES COCCCNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C27H25ClF3N5O3/c1-15-20(28)9-5-10-21(15)34-25(38)18-13-16(14-22-23(18)36-26(35-22)32-11-6-12-39-2)33-24(37)17-7-3-4-8-19(17)27(29,30)31/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,33,37)(H,34,38)(H2,32,35,36)
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NIPPON SHINYAKU CO., LTD.

US Patent


Assay Description
mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...

US Patent US9216968 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6QCQ
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%