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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))		BDBM197412
PNG
(US9216968, 11 | US9732066, 11)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H20ClF3N4O3/c1-13-18(26)8-5-9-19(13)32-24(35)16-10-14(11-20-22(16)33-21(31-20)12-36-2)30-23(34)15-6-3-4-7-17(15)25(27,28)29/h3-11H,12H2,1-2H3,(H,30,34)(H,31,33)(H,32,35)
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n/an/a 6.60n/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))		BDBM197416
PNG
(US9216968, 15 | US9732066, 15)
Show SMILES Cc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NC1CCCC1
Show InChI InChI=1S/C22H21F3N4O2/c1-12-26-18-11-14(29-20(30)15-8-4-5-9-17(15)22(23,24)25)10-16(19(18)27-12)21(31)28-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,26,27)(H,28,31)(H,29,30)
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n/an/a 37.4n/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))		BDBM197418
PNG
(US9216968, 17 | US9732066, 17)
Show SMILES CCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H20ClF3N4O2/c1-3-21-31-20-12-14(30-23(34)15-7-4-5-8-17(15)25(27,28)29)11-16(22(20)33-21)24(35)32-19-10-6-9-18(26)13(19)2/h4-12H,3H2,1-2H3,(H,30,34)(H,31,33)(H,32,35)
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n/an/a 9.80n/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))		BDBM197425
PNG
(US9216968, 24 | US9732066, 24)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C25H20ClF3N4O3/c1-36-13-21-32-20-11-15(31-24(35)16-7-3-4-8-18(16)25(27,28)29)10-17(22(20)33-21)23(34)30-12-14-6-2-5-9-19(14)26/h2-11H,12-13H2,1H3,(H,30,34)(H,31,35)(H,32,33)
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n/an/a 10.5n/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))		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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n/an/a 1.80n/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))		BDBM197433
PNG
(US9216968, 32 | US9732066, 32)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C25H20ClF3N4O3/c1-13-7-8-14(10-19(13)26)30-24(35)17-9-15(11-20-22(17)33-21(32-20)12-36-2)31-23(34)16-5-3-4-6-18(16)25(27,28)29/h3-11H,12H2,1-2H3,(H,30,35)(H,31,34)(H,32,33)
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n/an/a 5.20n/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))		BDBM197443
PNG
(US9216968, 42 | US9732066, 42)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O3/c1-39-12-20-35-18-10-13(34-23(38)14-5-2-3-6-16(14)24(26,27)28)9-15(21(18)36-20)22(37)33-11-19-17(25(29,30)31)7-4-8-32-19/h2-10H,11-12H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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n/an/a 28.5n/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))		BDBM197451
PNG
(US9216968, 50 | US9732066, 50)
Show SMILES CCn1cnc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc12)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H25F3N4O2/c1-2-31-14-28-21-18(23(33)29-15-8-4-3-5-9-15)12-16(13-20(21)31)30-22(32)17-10-6-7-11-19(17)24(25,26)27/h6-7,10-15H,2-5,8-9H2,1H3,(H,29,33)(H,30,32)
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n/an/a 140n/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))		BDBM197459
PNG
(US9216968, 58 | US9732066, 58)
Show SMILES CN(C)Cc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C26H23ClF3N5O2/c1-14-19(27)9-6-10-20(14)33-25(37)17-11-15(12-21-23(17)34-22(32-21)13-35(2)3)31-24(36)16-7-4-5-8-18(16)26(28,29)30/h4-12H,13H2,1-3H3,(H,31,36)(H,32,34)(H,33,37)
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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))		BDBM197462
PNG
(US9216968, 61)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C1CN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H29ClF3N5O4/c1-16-22(32)10-7-11-23(16)38-28(42)20-12-18(36-27(41)19-8-5-6-9-21(19)31(33,34)35)13-24-25(20)39-26(37-24)17-14-40(15-17)29(43)44-30(2,3)4/h5-13,17H,14-15H2,1-4H3,(H,36,41)(H,37,39)(H,38,42)
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n/an/a 3.20n/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))		BDBM197464
PNG
(US9216968, 63 | US9732066, 63)
Show SMILES CC(=O)OCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C26H20ClF3N4O4/c1-13-19(27)8-5-9-20(13)33-25(37)17-10-15(11-21-23(17)34-22(32-21)12-38-14(2)35)31-24(36)16-6-3-4-7-18(16)26(28,29)30/h3-11H,12H2,1-2H3,(H,31,36)(H,32,34)(H,33,37)
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n/an/a 5.60n/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))		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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n/an/a 0.200n/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))		BDBM197497
PNG
(US9216968, 96 | US9732066, 96)
Show SMILES COCc1nc2c(cc(NC(=O)c3cccnc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C23H19Cl2N5O3/c1-12-16(24)6-3-7-17(12)29-23(32)15-9-13(10-18-20(15)30-19(28-18)11-33-2)27-22(31)14-5-4-8-26-21(14)25/h3-10H,11H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)
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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))		BDBM197499
PNG
(US9216968, 98 | US9732066, 98)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H19Cl3N4O3/c1-12-15(25)5-4-8-18(12)30-23(32)14-9-13(10-19-22(14)31-20(29-19)11-34-2)28-24(33)21-16(26)6-3-7-17(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))		BDBM197500
PNG
(US9216968, 99 | US9732066, 99)
Show SMILES COCc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H19Cl3N4O3/c1-12-17(26)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(25)6-7-18(15)27/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))		BDBM197501
PNG
(US9216968, 100 | US9732066, 100)
Show SMILES COCc1nc2c(cc(NC(=O)c3cccc(F)c3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H19Cl2FN4O3/c1-12-16(25)6-4-8-18(12)30-24(33)15-9-13(10-19-22(15)31-20(29-19)11-34-2)28-23(32)14-5-3-7-17(27)21(14)26/h3-10H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)
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n/an/a 33.3n/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))		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))		BDBM197555
PNG
(US9216968, 155 | US9732066, 155)
Show SMILES CC(C)N(CCNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C)C(C)C
Show InChI InChI=1S/C31H34ClF3N6O2/c1-17(2)41(18(3)4)14-13-36-30-39-26-16-20(37-28(42)21-9-6-7-10-23(21)31(33,34)35)15-22(27(26)40-30)29(43)38-25-12-8-11-24(32)19(25)5/h6-12,15-18H,13-14H2,1-5H3,(H,37,42)(H,38,43)(H2,36,39,40)
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n/an/a 101n/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))		BDBM197569
PNG
(US9216968, 169 | US9732066, 169)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NC[C@H]3CCCO3)nc12 |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))		BDBM197571
PNG
(US9216968, 171 | US9732066, 171)
Show SMILES CC(C)[C@H](CO)Nc1nc2c(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))		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
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))		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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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))		BDBM197585
PNG
(US9216968, 185 | US9732066, 185)
Show SMILES CN(C)c1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)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)15-9-13(25)7-8-18(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))		BDBM197521
PNG
(US9216968, 121 | US9732066, 121)
Show SMILES CCOCCOCc1ccc(Cl)c(c1)C(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2C)c2nc(COC)[nH]c2c1
Show InChI InChI=1S/C29H30Cl2N4O5/c1-4-39-10-11-40-15-18-8-9-23(31)20(12-18)28(36)32-19-13-21(27-25(14-19)33-26(35-27)16-38-3)29(37)34-24-7-5-6-22(30)17(24)2/h5-9,12-14H,4,10-11,15-16H2,1-3H3,(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))		BDBM197522
PNG
(US9216968, 122 | US9732066, 122)
Show SMILES COCc1nc2c(cc(NC(=O)c3cc(CCC4CC4)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C29H28Cl2N4O3/c1-16-22(30)4-3-5-24(16)34-29(37)21-13-19(14-25-27(21)35-26(33-25)15-38-2)32-28(36)20-12-18(10-11-23(20)31)9-8-17-6-7-17/h3-5,10-14,17H,6-9,15H2,1-2H3,(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))		BDBM197529
PNG
(US9216968, 129 | US9732066, 129)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)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))		BDBM197534
PNG
(US9216968, 134 | US9732066, 134)
Show SMILES CNC(=O)Cc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C26H21ClF3N5O3/c1-13-18(27)8-5-9-19(13)34-25(38)16-10-14(11-20-23(16)35-21(33-20)12-22(36)31-2)32-24(37)15-6-3-4-7-17(15)26(28,29)30/h3-11H,12H2,1-2H3,(H,31,36)(H,32,37)(H,33,35)(H,34,38)
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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))		BDBM197552
PNG
(US9216968, 152 | US9732066, 152)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCCN3CCCC3)nc12
Show InChI InChI=1S/C29H28ClF3N6O2/c1-17-22(30)9-6-10-23(17)36-27(41)20-15-18(35-26(40)19-7-2-3-8-21(19)29(31,32)33)16-24-25(20)38-28(37-24)34-11-14-39-12-4-5-13-39/h2-3,6-10,15-16H,4-5,11-14H2,1H3,(H,35,40)(H,36,41)(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))		BDBM197620
PNG
(US9216968, 220 | US9732066, 220)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccsc1
Show InChI InChI=1S/C22H17F3N4O3S/c1-32-10-18-28-17-9-13(27-20(30)14-4-2-3-5-16(14)22(23,24)25)8-15(19(17)29-18)21(31)26-12-6-7-33-11-12/h2-9,11H,10H2,1H3,(H,26,31)(H,27,30)(H,28,29)
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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))		BDBM197625
PNG
(US9216968, 225 | US9732066, 225)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C25H18F3N5O3S/c1-36-12-20-30-18-11-13(29-22(34)14-6-2-3-7-16(14)25(26,27)28)10-15(21(18)32-20)23(35)33-24-31-17-8-4-5-9-19(17)37-24/h2-11H,12H2,1H3,(H,29,34)(H,30,32)(H,31,33,35)
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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))		BDBM197629
PNG
(US9216968, 229 | US9732066, 229)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccccc1Cc1ccccc1
Show InChI InChI=1S/C31H25F3N4O3/c1-41-18-27-36-26-17-21(35-29(39)22-12-6-7-13-24(22)31(32,33)34)16-23(28(26)38-27)30(40)37-25-14-8-5-11-20(25)15-19-9-3-2-4-10-19/h2-14,16-17H,15,18H2,1H3,(H,35,39)(H,36,38)(H,37,40)
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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))		BDBM197634
PNG
(US9216968, 234 | US9732066, 234)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1CO
Show InChI InChI=1S/C25H20ClF3N4O4/c1-37-12-21-31-20-10-13(30-23(35)14-5-2-3-6-17(14)25(27,28)29)9-15(22(20)33-21)24(36)32-19-8-4-7-18(26)16(19)11-34/h2-10,34H,11-12H2,1H3,(H,30,35)(H,31,33)(H,32,36)
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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))		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))		BDBM197411
PNG
(US9216968, 10 | US9732066, 10)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2cn[nH]c12
Show InChI InChI=1S/C24H16F6N4O2/c25-23(26,27)18-7-3-1-5-13(18)11-31-21(35)17-10-15(9-14-12-32-34-20(14)17)33-22(36)16-6-2-4-8-19(16)24(28,29)30/h1-10,12H,11H2,(H,31,35)(H,32,34)(H,33,36)
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n/an/a 333n/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))		BDBM197419
PNG
(US9216968, 18 | US9732066, 18)
Show SMILES CCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H25F3N4O2/c1-2-20-30-19-13-15(29-22(32)16-10-6-7-11-18(16)24(25,26)27)12-17(21(19)31-20)23(33)28-14-8-4-3-5-9-14/h6-7,10-14H,2-5,8-9H2,1H3,(H,28,33)(H,29,32)(H,30,31)
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n/an/a 21.6n/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))		BDBM197423
PNG
(US9216968, 22 | US9732066, 22)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C25H21F3N4O3/c1-14-7-3-6-10-19(14)31-24(34)17-11-15(12-20-22(17)32-21(30-20)13-35-2)29-23(33)16-8-4-5-9-18(16)25(26,27)28/h3-12H,13H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)
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n/an/a 4.80n/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))		BDBM197427
PNG
(US9216968, 26 | US9732066, 26)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C24H23F5N4O3/c1-36-12-19-32-18-11-14(31-21(34)15-4-2-3-5-17(15)24(27,28)29)10-16(20(18)33-19)22(35)30-13-6-8-23(25,26)9-7-13/h2-5,10-11,13H,6-9,12H2,1H3,(H,30,35)(H,31,34)(H,32,33)
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n/an/a 172n/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))		BDBM197434
PNG
(US9216968, 33 | US9732066, 33)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc2CCCc2c1
Show InChI InChI=1S/C27H23F3N4O3/c1-37-14-23-33-22-13-18(32-25(35)19-7-2-3-8-21(19)27(28,29)30)12-20(24(22)34-23)26(36)31-17-10-9-15-5-4-6-16(15)11-17/h2-3,7-13H,4-6,14H2,1H3,(H,31,36)(H,32,35)(H,33,34)
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n/an/a 3n/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))		BDBM197438
PNG
(US9216968, 37 | US9732066, 37)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc(OC)cc1
Show InChI InChI=1S/C25H21F3N4O4/c1-35-13-21-31-20-12-15(30-23(33)17-5-3-4-6-19(17)25(26,27)28)11-18(22(20)32-21)24(34)29-14-7-9-16(36-2)10-8-14/h3-12H,13H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)
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n/an/a 23.3n/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))		BDBM197452
PNG
(US9216968, 51 | US9732066, 51)
Show SMILES CCn1cnc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc12)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H20F6N4O2/c1-2-36-14-34-22-18(23(37)33-13-15-7-3-5-9-19(15)25(27,28)29)11-16(12-21(22)36)35-24(38)17-8-4-6-10-20(17)26(30,31)32/h3-12,14H,2,13H2,1H3,(H,33,37)(H,35,38)
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n/an/a 120n/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))		BDBM197455
PNG
(US9216968, 54 | US9732066, 54)
Show SMILES CCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2o1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H19ClF3N3O3/c1-3-21-32-22-16(24(34)31-19-10-6-9-18(26)13(19)2)11-14(12-20(22)35-21)30-23(33)15-7-4-5-8-17(15)25(27,28)29/h4-12H,3H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 23.2n/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))		BDBM197463
PNG
(US9216968, 62 | US9732066, 62)
Show SMILES CNCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H21ClF3N5O2/c1-13-18(26)8-5-9-19(13)33-24(36)16-10-14(11-20-22(16)34-21(32-20)12-30-2)31-23(35)15-6-3-4-7-17(15)25(27,28)29/h3-11,30H,12H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)
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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))		BDBM197465
PNG
(BDBM197467 | US9216968, 64 | US9732066, 66)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)[C@H]1CCCO1 |r|
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n/an/a 9.90n/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))		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))		BDBM197479
PNG
(US9216968, 78 | US9732066, 78)
Show SMILES CCOCCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C27H24ClF3N4O3/c1-3-38-12-11-23-33-22-14-16(32-25(36)17-7-4-5-8-19(17)27(29,30)31)13-18(24(22)35-23)26(37)34-21-10-6-9-20(28)15(21)2/h4-10,13-14H,3,11-12H2,1-2H3,(H,32,36)(H,33,35)(H,34,37)
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n/an/a 96.8n/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))		BDBM197482
PNG
(US9216968, 81 | US9732066, 81)
Show SMILES COCCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C26H22ClF3N4O3/c1-14-19(27)8-5-9-20(14)33-25(36)17-12-15(13-21-23(17)34-22(32-21)10-11-37-2)31-24(35)16-6-3-4-7-18(16)26(28,29)30/h3-9,12-13H,10-11H2,1-2H3,(H,31,35)(H,32,34)(H,33,36)
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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
Displayed 1 to 50 (of 239 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%