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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))		BDBM197421
PNG
(US9216968, 20 | US9732066, 20)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H25F3N4O3/c1-34-13-20-30-19-12-15(29-22(32)16-9-5-6-10-18(16)24(25,26)27)11-17(21(19)31-20)23(33)28-14-7-3-2-4-8-14/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,28,33)(H,29,32)(H,30,31)
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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))		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))		BDBM197445
PNG
(US9216968, 44 | US9732066, 44)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(CC(N)=O)nc12
Show InChI InChI=1S/C25H19ClF3N5O3/c1-12-17(26)7-4-8-18(12)33-24(37)15-9-13(10-19-22(15)34-21(32-19)11-20(30)35)31-23(36)14-5-2-3-6-16(14)25(27,28)29/h2-10H,11H2,1H3,(H2,30,35)(H,31,36)(H,32,34)(H,33,37)
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n/an/a 4.10n/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))		BDBM197461
PNG
(US9216968, 60 | US9732066, 60)
Show SMILES CC(C)Cc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C28H24F6N4O2/c1-15(2)11-23-37-22-13-17(36-26(40)18-8-4-6-10-21(18)28(32,33)34)12-19(24(22)38-23)25(39)35-14-16-7-3-5-9-20(16)27(29,30)31/h3-10,12-13,15H,11,14H2,1-2H3,(H,35,39)(H,36,40)(H,37,38)
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n/an/a 19.8n/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))		BDBM197473
PNG
(US9216968, 72 | US9732066, 72)
Show SMILES CN1CCC[C@H]1c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C |r|
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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))		BDBM197484
PNG
(US9216968, 83 | US9732066, 83)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C1CC1
Show InChI InChI=1S/C26H20ClF3N4O2/c1-13-19(27)7-4-8-20(13)33-25(36)17-11-15(12-21-22(17)34-23(32-21)14-9-10-14)31-24(35)16-5-2-3-6-18(16)26(28,29)30/h2-8,11-12,14H,9-10H2,1H3,(H,31,35)(H,32,34)(H,33,36)
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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))		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))		BDBM197507
PNG
(US9216968, 106 | US9732066, 106)
Show SMILES COCc1nc2c(cc(NC(=O)c3cc(Br)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H19BrCl2N4O3/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))		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))		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))		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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n/an/a 1n/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))		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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n/an/a 59.4n/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))		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))		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))		BDBM197595
PNG
(US9216968, 195 | US9732066, 195)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(F)cccc2Cl)cc2[nH]c(NCCOC(C)(C)C)nc12
Show InChI InChI=1S/C28H28Cl2FN5O3/c1-15-18(29)7-6-10-21(15)34-25(37)17-13-16(33-26(38)23-19(30)8-5-9-20(23)31)14-22-24(17)36-27(35-22)32-11-12-39-28(2,3)4/h5-10,13-14H,11-12H2,1-4H3,(H,33,38)(H,34,37)(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))		BDBM197598
PNG
(US9216968, 198 | US9732066, 198)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(F)cccc2Cl)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))		BDBM197612
PNG
(US9216968, 212 | US9732066, 212)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3S(C)(=O)=O)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H23ClN4O5S/c1-14-18(26)8-6-9-19(14)29-25(32)17-11-15(12-20-23(17)30-22(28-20)13-35-2)27-24(31)16-7-4-5-10-21(16)36(3,33)34/h4-12H,13H2,1-3H3,(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))		BDBM197624
PNG
(US9216968, 224 | US9732066, 224)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C26H20F3N5O3/c1-37-13-22-33-21-12-16(32-24(35)17-4-2-3-5-19(17)26(27,28)29)11-18(23(21)34-22)25(36)31-15-6-7-20-14(10-15)8-9-30-20/h2-12,30H,13H2,1H3,(H,31,36)(H,32,35)(H,33,34)
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n/an/a 26.5n/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))		BDBM197626
PNG
(US9216968, 226 | US9732066, 226)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCC(C)(C)C
Show InChI InChI=1S/C23H25F3N4O3/c1-22(2,3)12-27-20(31)15-9-13(10-17-19(15)30-18(29-17)11-33-4)28-21(32)14-7-5-6-8-16(14)23(24,25)26/h5-10H,11-12H2,1-4H3,(H,27,31)(H,28,32)(H,29,30)
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n/an/a 26.9n/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))		BDBM197632
PNG
(US9216968, 232 | US9732066, 232)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1nc2ccccc2o1
Show InChI InChI=1S/C25H18F3N5O4/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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n/an/a 7.70n/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))		BDBM197420
PNG
(US9216968, 19 | US9732066, 19)
Show SMILES CCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H20F6N4O2/c1-2-21-35-20-12-15(34-24(38)16-8-4-6-10-19(16)26(30,31)32)11-17(22(20)36-21)23(37)33-13-14-7-3-5-9-18(14)25(27,28)29/h3-12H,2,13H2,1H3,(H,33,37)(H,34,38)(H,35,36)
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n/an/a 9.40n/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))		BDBM197449
PNG
(US9216968, 48 | US9732066, 48)
Show SMILES Cn1cnc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc12)C(=O)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H18F6N4O2/c1-35-13-33-21-17(22(36)32-12-14-6-2-4-8-18(14)24(26,27)28)10-15(11-20(21)35)34-23(37)16-7-3-5-9-19(16)25(29,30)31/h2-11,13H,12H2,1H3,(H,32,36)(H,34,37)
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n/an/a 49.9n/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))		BDBM197469
PNG
(US9216968, 68 | US9732066, 68)
Show SMILES CC(=O)N1CC(C1)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C28H23ClF3N5O3/c1-14-21(29)8-5-9-22(14)35-27(40)19-10-17(33-26(39)18-6-3-4-7-20(18)28(30,31)32)11-23-24(19)36-25(34-23)16-12-37(13-16)15(2)38/h3-11,16H,12-13H2,1-2H3,(H,33,39)(H,34,36)(H,35,40)
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n/an/a 63.4n/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))		BDBM197470
PNG
(US9216968, 69 | US9732066, 69)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)[C@@H]1CCCN1C(=O)OC(C)(C)C |r|
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n/an/a 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))		BDBM197492
PNG
(US9216968, 91 | US9732066, 91)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2n1C)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C26H22ClF3N4O3/c1-34-21-12-16(32-25(36)17-8-4-5-9-19(17)26(28,29)30)11-18(23(21)33-22(34)14-37-2)24(35)31-13-15-7-3-6-10-20(15)27/h3-12H,13-14H2,1-2H3,(H,31,35)(H,32,36)
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n/an/a 327n/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))		BDBM197494
PNG
(US9216968, 93 | US9732066, 93)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccc(F)cc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H19Cl2FN4O3/c1-12-17(25)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)15-7-6-13(27)8-18(15)26/h3-10H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)
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n/an/a 4.20n/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))		BDBM197498
PNG
(US9216968, 97 | US9732066, 97)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3Br)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H20BrClN4O3/c1-13-18(26)8-5-9-19(13)29-24(32)16-10-14(11-20-22(16)30-21(28-20)12-33-2)27-23(31)15-6-3-4-7-17(15)25/h3-11H,12H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)
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n/an/a 6.10n/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))		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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n/an/a 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))		BDBM197502
PNG
(US9216968, 101 | US9732066, 101)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(F)ccc(F)c3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H18Cl2F2N4O3/c1-11-14(25)4-3-5-17(11)31-23(33)13-8-12(9-18-22(13)32-19(30-18)10-35-2)29-24(34)20-15(27)6-7-16(28)21(20)26/h3-9H,10H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)
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n/an/a 77.8n/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))		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))		BDBM197510
PNG
(US9216968, 109 | US9732066, 109)
Show SMILES COCc1nc2c(cc(NC(=O)c3cc(C)ccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C26H22ClF3N4O3/c1-13-7-8-18(26(28,29)30)16(9-13)24(35)31-15-10-17(23-21(11-15)32-22(34-23)12-37-3)25(36)33-20-6-4-5-19(27)14(20)2/h4-11H,12H2,1-3H3,(H,31,35)(H,32,34)(H,33,36)
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n/an/a 7.80n/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))		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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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))		BDBM197557
PNG
(US9216968, 157 | US9732066, 157)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N)nc12
Show InChI InChI=1S/C23H17ClF3N5O2/c1-11-16(24)7-4-8-17(11)30-21(34)14-9-12(10-18-19(14)32-22(28)31-18)29-20(33)13-5-2-3-6-15(13)23(25,26)27/h2-10H,1H3,(H,29,33)(H,30,34)(H3,28,31,32)
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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))		BDBM197560
PNG
(US9216968, 160 | US9732066, 160)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCC(=O)OC(C)(C)C)nc12
Show InChI InChI=1S/C29H27ClF3N5O4/c1-15-20(30)10-7-11-21(15)36-26(41)18-12-16(35-25(40)17-8-5-6-9-19(17)29(31,32)33)13-22-24(18)38-27(37-22)34-14-23(39)42-28(2,3)4/h5-13H,14H2,1-4H3,(H,35,40)(H,36,41)(H2,34,37,38)
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n/an/a 7.60n/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))		BDBM197561
PNG
(US9216968, 161 | US9732066, 161)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCC(O)=O)nc12
Show InChI InChI=1S/C25H19ClF3N5O4/c1-12-17(26)7-4-8-18(12)32-23(38)15-9-13(10-19-21(15)34-24(33-19)30-11-20(35)36)31-22(37)14-5-2-3-6-16(14)25(27,28)29/h2-10H,11H2,1H3,(H,31,37)(H,32,38)(H,35,36)(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))		BDBM197563
PNG
(US9216968, 163 | US9732066, 163)
Show SMILES COCC(C)(C)CNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C29H29ClF3N5O3/c1-16-21(30)10-7-11-22(16)36-26(40)19-12-17(35-25(39)18-8-5-6-9-20(18)29(31,32)33)13-23-24(19)38-27(37-23)34-14-28(2,3)15-41-4/h5-13H,14-15H2,1-4H3,(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))		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))		BDBM197570
PNG
(US9216968, 170 | US9732066, 170)
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))		BDBM197572
PNG
(US9216968, 172 | US9732066, 172)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N[C@H](CO)C(C)(C)C)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))		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))		BDBM197579
PNG
(US9216968, 179 | US9732066, 179)
Show SMILES CSc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C24H18ClF3N4O2S/c1-12-17(25)8-5-9-18(12)30-22(34)15-10-13(11-19-20(15)32-23(31-19)35-2)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))		BDBM197517
PNG
(US9216968, 117 | US9732066, 117)
Show SMILES COCc1nc2c(cc(NC(=O)c3cc(ccc3Cl)C#CCOC(C)(C)C)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C31H30Cl2N4O4/c1-18-23(32)9-6-10-25(18)36-30(39)22-15-20(16-26-28(22)37-27(35-26)17-40-5)34-29(38)21-14-19(11-12-24(21)33)8-7-13-41-31(2,3)4/h6,9-12,14-16H,13,17H2,1-5H3,(H,34,38)(H,35,37)(H,36,39)
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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))		BDBM197519
PNG
(US9216968, 119 | US9732066, 119)
Show SMILES COCc1nc2c(cc(NC(=O)c3cc(CCC(C)(C)O)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C29H30Cl2N4O4/c1-16-21(30)6-5-7-23(16)34-28(37)20-13-18(14-24-26(20)35-25(33-24)15-39-4)32-27(36)19-12-17(8-9-22(19)31)10-11-29(2,3)38/h5-9,12-14,38H,10-11,15H2,1-4H3,(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))		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))		BDBM197523
PNG
(US9216968, 123 | US9732066, 123)
Show SMILES COCc1nc2c(cc(NC(=O)c3cc(CCc4ccccc4)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C32H28Cl2N4O3/c1-19-25(33)9-6-10-27(19)37-32(40)24-16-22(17-28-30(24)38-29(36-28)18-41-2)35-31(39)23-15-21(13-14-26(23)34)12-11-20-7-4-3-5-8-20/h3-10,13-17H,11-12,18H2,1-2H3,(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))		BDBM197543
PNG
(US9216968, 143 | US9732066, 143)
Show SMILES CN1CCN(CC1)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C28H26ClF3N6O2/c1-16-21(29)8-5-9-22(16)34-26(40)19-14-17(33-25(39)18-6-3-4-7-20(18)28(30,31)32)15-23-24(19)36-27(35-23)38-12-10-37(2)11-13-38/h3-9,14-15H,10-13H2,1-2H3,(H,33,39)(H,34,40)(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
Displayed 1 to 50 (of 239 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%