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Patent code US10081629

Compile Data Set for Download or QSAR
Found 107 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))
BDBM286070
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H22F6N4O3/c1-26(2,30)25(40)35-12-14-8-20(21(22(28)29)34-11-14)23(38)36-17-7-6-15-13-37(24(39)19(15)10-17)18-5-3-4-16(9-18)27(31,32)33/h3-11,22H,12-13H2,1-2H3,(H,35,40)(H,36,38)
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n/an/a 1.18n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286069
PNG
(2-Chloro-N-(3-oxo-2-(4-(trifluoromethyl)phenyl)iso...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H25ClF3N3O3/c1-27(2,3)26(38)33-14-16-4-11-23(29)22(12-16)24(36)34-19-8-5-17-15-35(25(37)21(17)13-19)20-9-6-18(7-10-20)28(30,31)32/h4-13H,14-15H2,1-3H3,(H,33,38)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286047
PNG
((R)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m1/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286034
PNG
(2-(Difluoromethyl)-N-(1-ethyl-2-(4-(trifluoromethy...)
Show SMILES CCn1ccc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12
Show InChI InChI=1S/C22H23F3N4O2/c1-4-29-8-7-14-10-15(5-6-17(14)29)28-20(30)16-9-13(11-26-18(16)19(23)24)12-27-21(31)22(2,3)25/h5-11,19H,4,12H2,1-3H3,(H,27,31)(H,28,30)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286061
PNG
((S)-N-(2-(4-Chlorophenyl)-1-(-tetrahydrofuran-3-yl...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1cnc2n(ccc2c1)[C@H]1CCOC1
Show InChI InChI=1S/C23H24F3N5O3/c1-23(2,26)22(33)29-10-13-7-17(18(19(24)25)27-9-13)21(32)30-15-8-14-3-5-31(20(14)28-11-15)16-4-6-34-12-16/h3,5,7-9,11,16,19H,4,6,10,12H2,1-2H3,(H,29,33)(H,30,32)/t16-/m0/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286046
PNG
((S)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m0/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286045
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanyl...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286043
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(Cc2c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H24F6N4O2/c1-26(2,30)25(39)35-12-15-9-21(22(23(28)29)34-11-15)24(38)36-19-6-3-16-13-37(14-17(16)10-19)20-7-4-18(5-8-20)27(31,32)33/h3-11,23H,12-14H2,1-2H3,(H,35,39)(H,36,38)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286037
PNG
(N-(2-(3-Chlorophenyl)-1-ethyl-1H-indol-5-yl)-2-(di...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H26ClF3N4O2/c1-4-36-22-9-8-20(12-18(22)13-23(36)17-6-5-7-19(29)11-17)35-26(37)21-10-16(14-33-24(21)25(30)31)15-34-27(38)28(2,3)32/h5-14,25H,4,15H2,1-3H3,(H,34,38)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286023
PNG
(2-(difluoromethyl)-N-(1-ethyl-2-(4-(trifluoromethy...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H27F5N4O2/c1-4-38-23-10-9-21(12-19(23)13-24(38)18-5-7-20(8-6-18)29(32,33)34)37-28(40)22-11-17(14-35-25(22)26(30)31)15-36-27(39)16(2)3/h5-14,16,26H,4,15H2,1-3H3,(H,36,39)(H,37,40)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286063
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(cc2c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H21F6N3O3/c1-26(2,30)25(38)35-13-14-8-19(22(23(28)29)34-12-14)24(37)36-18-6-7-20-16(10-18)11-21(39-20)15-4-3-5-17(9-15)27(31,32)33/h3-12,23H,13H2,1-2H3,(H,35,38)(H,36,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286054
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H22F5N3O3/c1-14(2)25(36)34-13-15-9-20(23(24(28)29)33-12-15)26(37)35-19-7-8-21-17(10-19)11-22(38-21)16-3-5-18(6-4-16)27(30,31)32/h3-12,14,24H,13H2,1-2H3,(H,34,36)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286026
PNG
(2-Chloro-N-(1-ethyl-2-(4-fluorophenyl)-1H-indol-5-...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H29ClFN3O2/c1-5-34-25-13-11-22(15-20(25)16-26(34)19-7-9-21(31)10-8-19)33-27(35)23-14-18(6-12-24(23)30)17-32-28(36)29(2,3)4/h6-16H,5,17H2,1-4H3,(H,32,36)(H,33,35)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286050
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-pyrrolo[3,2-b]py...)
Show SMILES Cn1c(cc2nc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H23ClF3N5O2/c1-26(2,30)25(37)32-13-14-9-17(22(23(28)29)31-12-14)24(36)34-21-8-7-19-18(33-21)11-20(35(19)3)15-5-4-6-16(27)10-15/h4-12,23H,13H2,1-3H3,(H,32,37)(H,33,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286051
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-pyrrolo[2,3-c]py...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ncc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H23ClF3N5O2/c1-26(2,30)25(37)33-12-14-7-18(22(23(28)29)32-11-14)24(36)34-21-10-16-9-19(35(3)20(16)13-31-21)15-5-4-6-17(27)8-15/h4-11,13,23H,12H2,1-3H3,(H,33,37)(H,31,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286031
PNG
(N-(2-(4-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-10-20(23(24(29)30)32-13-15)25(36)34-19-8-9-21-17(11-19)12-22(35(21)3)16-4-6-18(28)7-5-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286040
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H20F6N4O3/c1-25(2,29)24(38)34-12-13-9-17(20(21(27)28)33-11-13)22(37)35-16-7-8-19-18(10-16)36-23(39-19)14-3-5-15(6-4-14)26(30,31)32/h3-11,21H,12H2,1-2H3,(H,34,38)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286044
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES COCCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)C1=CC=C(CC1)C(F)(F)F
Show InChI InChI=1S/C30H30F6N4O3/c1-29(2,33)28(42)38-16-17-12-22(25(26(31)32)37-15-17)27(41)39-21-8-9-23-19(13-21)14-24(40(23)10-11-43-3)18-4-6-20(7-5-18)30(34,35)36/h4,6,8-9,12-15,26H,5,7,10-11,16H2,1-3H3,(H,38,42)(H,39,41)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286029
PNG
(2-Chloro-N-(2(4-fluorophenyl)-1-methyl-1H-indol-5-...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27ClFN3O2/c1-28(2,3)27(35)31-16-17-5-11-23(29)22(13-17)26(34)32-21-10-12-24-19(14-21)15-25(33(24)4)18-6-8-20(30)9-7-18/h5-15H,16H2,1-4H3,(H,31,35)(H,32,34)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286031
PNG
(N-(2-(4-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-10-20(23(24(29)30)32-13-15)25(36)34-19-8-9-21-17(11-19)12-22(35(21)3)16-4-6-18(28)7-5-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286048
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-9-20(23(24(29)30)32-13-15)25(36)34-19-7-8-21-17(11-19)12-22(35(21)3)16-5-4-6-18(28)10-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286053
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F5N4O3/c1-13(2)23(36)33-12-14-9-18(21(22(27)28)32-11-14)24(37)34-17-7-8-20-19(10-17)35-25(38-20)15-3-5-16(6-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286062
PNG
((R)-N-(2-(4-Chlorophenyl)-1-(tetrahydrofuran-3-yl)...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@@H]3CCOC3)c(cc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H28ClF3N4O3/c1-30(2,34)29(40)36-15-17-11-23(26(27(32)33)35-14-17)28(39)37-21-7-8-24-19(12-21)13-25(18-3-5-20(31)6-4-18)38(24)22-9-10-41-16-22/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,36,40)(H,37,39)/t22-/m1/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286025
PNG
(2-Bromo-N-(1-ethyl-2-(4-fluorophenyl)-1H-indol-5-y...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Br)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H29BrFN3O2/c1-5-34-25-13-11-22(15-20(25)16-26(34)19-7-9-21(31)10-8-19)33-27(35)23-14-18(6-12-24(23)30)17-32-28(36)29(2,3)4/h6-16H,5,17H2,1-4H3,(H,32,36)(H,33,35)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286068
PNG
(2-Chloro-N-(2-(4-chlorophenyl)-3-oxo-isoindolin-5-...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H25Cl2N3O3/c1-27(2,3)26(35)30-14-16-4-11-23(29)22(12-16)24(33)31-19-8-5-17-15-32(25(34)21(17)13-19)20-9-6-18(28)7-10-20/h4-13H,14-15H2,1-3H3,(H,30,35)(H,31,33)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286052
PNG
(N-(2-(3-Chlorophenyl)-1-ethyl-1H-pyrrolo[3,2-b]pyr...)
Show SMILES CCn1c(cc2nc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H25ClF3N5O2/c1-4-36-20-8-9-22(34-19(20)12-21(36)16-6-5-7-17(28)11-16)35-25(37)18-10-15(13-32-23(18)24(29)30)14-33-26(38)27(2,3)31/h5-13,24H,4,14H2,1-3H3,(H,33,38)(H,34,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286039
PNG
(2-Chloro-5-((2,2-dimethylpropanoylamino)methyl)-N-...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H23ClF3N3O3/c1-26(2,3)25(36)32-14-15-4-10-20(28)19(12-15)23(35)33-18-9-11-22-21(13-18)34-24(37-22)16-5-7-17(8-6-16)27(29,30)31/h4-13H,14H2,1-3H3,(H,32,36)(H,33,35)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286068
PNG
(2-Chloro-N-(2-(4-chlorophenyl)-3-oxo-isoindolin-5-...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H25Cl2N3O3/c1-27(2,3)26(35)30-14-16-4-11-23(29)22(12-16)24(33)31-19-8-5-17-15-32(25(34)21(17)13-19)20-9-6-18(28)7-10-20/h4-13H,14-15H2,1-3H3,(H,30,35)(H,31,33)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286045
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanyl...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286045
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanyl...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286045
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanyl...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286057
PNG
(N-(2-(4-Chlorophenyl)-1-ethyl-1H-indol-5-yl)-2-(di...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C4(C)CC4)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClF2N4O2/c1-3-36-23-9-8-21(13-19(23)14-24(36)18-4-6-20(30)7-5-18)35-27(37)22-12-17(15-33-25(22)26(31)32)16-34-28(38)29(2)10-11-29/h4-9,12-15,26H,3,10-11,16H2,1-2H3,(H,34,38)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286030
PNG
(N-(2-(4-Chlorophenyl)-1-methyl-1H-indol-5-yl-2-(di...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C)c(cc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H25ClF2N4O2/c1-15(2)26(35)32-14-16-10-21(24(25(29)30)31-13-16)27(36)33-20-8-9-22-18(11-20)12-23(34(22)3)17-4-6-19(28)7-5-17/h4-13,15,25H,14H2,1-3H3,(H,32,35)(H,33,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286067
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H20F6N4O3/c1-25(2,29)24(38)34-12-13-8-17(20(21(27)28)33-11-13)22(37)35-16-6-7-19-18(10-16)36-23(39-19)14-4-3-5-15(9-14)26(30,31)32/h3-11,21H,12H2,1-2H3,(H,34,38)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286049
PNG
(2-Chloro-N-(2-(4-fluorophenyl)-1-methyl-1H-indol-5...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C4(CC4)C(F)(F)F)ccc3Cl)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H22ClF4N3O2/c1-36-23-9-7-20(13-18(23)14-24(36)17-3-5-19(30)6-4-17)35-25(37)21-12-16(2-8-22(21)29)15-34-26(38)27(10-11-27)28(31,32)33/h2-9,12-14H,10-11,15H2,1H3,(H,34,38)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286036
PNG
(N-(2-(2-Chlorophenyl)-1-ethyl-1H-indol-5-yl)-2-(di...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClF3N4O2/c1-4-36-22-10-9-18(12-17(22)13-23(36)19-7-5-6-8-21(19)29)35-26(37)20-11-16(14-33-24(20)25(30)31)15-34-27(38)28(2,3)32/h5-14,25H,4,15H2,1-3H3,(H,34,38)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286038
PNG
(N-(2-(4-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C4(CC4)C(F)(F)F)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H22ClF5N4O2/c1-38-21-7-6-19(11-17(21)12-22(38)16-2-4-18(29)5-3-16)37-25(39)20-10-15(13-35-23(20)24(30)31)14-36-26(40)27(8-9-27)28(32,33)34/h2-7,10-13,24H,8-9,14H2,1H3,(H,36,40)(H,37,39)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286023
PNG
(2-(difluoromethyl)-N-(1-ethyl-2-(4-(trifluoromethy...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H27F5N4O2/c1-4-38-23-10-9-21(12-19(23)13-24(38)18-5-7-20(8-6-18)29(32,33)34)37-28(40)22-11-17(14-35-25(22)26(30)31)15-36-27(39)16(2)3/h5-14,16,26H,4,15H2,1-3H3,(H,36,39)(H,37,40)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286064
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(Cc2c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H24F6N4O2/c1-26(2,30)25(39)35-12-15-8-21(22(23(28)29)34-11-15)24(38)36-19-7-6-16-13-37(14-17(16)9-19)20-5-3-4-18(10-20)27(31,32)33/h3-11,23H,12-14H2,1-2H3,(H,35,39)(H,36,38)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286069
PNG
(2-Chloro-N-(3-oxo-2-(4-(trifluoromethyl)phenyl)iso...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H25ClF3N3O3/c1-27(2,3)26(38)33-14-16-4-11-23(29)22(12-16)24(36)34-19-8-5-17-15-35(25(37)21(17)13-19)20-9-6-18(7-10-20)28(30,31)32/h4-13H,14-15H2,1-3H3,(H,33,38)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286033
PNG
(2-Chloro-N-(2-(4-chlorophenyl)indazol-5-yl)-5-((2,...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2nn(cc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24Cl2N4O2/c1-26(2,3)25(34)29-14-16-4-10-22(28)21(12-16)24(33)30-19-7-11-23-17(13-19)15-32(31-23)20-8-5-18(27)6-9-20/h4-13,15H,14H2,1-3H3,(H,29,34)(H,30,33)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286025
PNG
(2-Bromo-N-(1-ethyl-2-(4-fluorophenyl)-1H-indol-5-y...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Br)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H29BrFN3O2/c1-5-34-25-13-11-22(15-20(25)16-26(34)19-7-9-21(31)10-8-19)33-27(35)23-14-18(6-12-24(23)30)17-32-28(36)29(2,3)4/h6-16H,5,17H2,1-4H3,(H,32,36)(H,33,35)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286028
PNG
(2-(Difluoromethyl)-N-(1-ethyl-2-(4-chlorophenyl)-1...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H27ClF2N4O2/c1-4-35-23-10-9-21(12-19(23)13-24(35)18-5-7-20(29)8-6-18)34-28(37)22-11-17(14-32-25(22)26(30)31)15-33-27(36)16(2)3/h5-14,16,26H,4,15H2,1-3H3,(H,33,36)(H,34,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286027
PNG
(2-(Difluoromethyl)-N-(1-methyl-2-(4-(trifluorometh...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H25F5N4O2/c1-15(2)26(38)35-14-16-10-21(24(25(29)30)34-13-16)27(39)36-20-8-9-22-18(11-20)12-23(37(22)3)17-4-6-19(7-5-17)28(31,32)33/h4-13,15,25H,14H2,1-3H3,(H,35,38)(H,36,39)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286042
PNG
(2-Chloro-5-((2,2-dimethylpropanoylamino)methyl)-N-...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2CN(Cc2c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF3N3O2/c1-27(2,3)26(37)33-14-17-4-11-24(29)23(12-17)25(36)34-21-8-5-18-15-35(16-19(18)13-21)22-9-6-20(7-10-22)28(30,31)32/h4-13H,14-16H2,1-3H3,(H,33,37)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286034
PNG
(2-(Difluoromethyl)-N-(1-ethyl-2-(4-(trifluoromethy...)
Show SMILES CCn1ccc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12
Show InChI InChI=1S/C22H23F3N4O2/c1-4-29-8-7-14-10-15(5-6-17(14)29)28-20(30)16-9-13(11-26-18(16)19(23)24)12-27-21(31)22(2,3)25/h5-11,19H,4,12H2,1-3H3,(H,27,31)(H,28,30)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286049
PNG
(2-Chloro-N-(2-(4-fluorophenyl)-1-methyl-1H-indol-5...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C4(CC4)C(F)(F)F)ccc3Cl)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H22ClF4N3O2/c1-36-23-9-7-20(13-18(23)14-24(36)17-3-5-19(30)6-4-17)35-25(37)21-12-16(2-8-22(21)29)15-34-26(38)27(10-11-27)28(31,32)33/h2-9,12-14H,10-11,15H2,1H3,(H,34,38)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286028
PNG
(2-(Difluoromethyl)-N-(1-ethyl-2-(4-chlorophenyl)-1...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H27ClF2N4O2/c1-4-35-23-10-9-21(12-19(23)13-24(35)18-5-7-20(29)8-6-18)34-28(37)22-11-17(14-32-25(22)26(30)31)15-33-27(36)16(2)3/h5-14,16,26H,4,15H2,1-3H3,(H,33,36)(H,34,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286024
PNG
(2-(Difluoromethyl)-N-(1-ethyl-2-(4-fluorophenyl)-1...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27F3N4O2/c1-4-35-23-10-9-21(12-19(23)13-24(35)18-5-7-20(29)8-6-18)34-28(37)22-11-17(14-32-25(22)26(30)31)15-33-27(36)16(2)3/h5-14,16,26H,4,15H2,1-3H3,(H,33,36)(H,34,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286037
PNG
(N-(2-(3-Chlorophenyl)-1-ethyl-1H-indol-5-yl)-2-(di...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H26ClF3N4O2/c1-4-36-22-9-8-20(12-18(22)13-23(36)17-6-5-7-19(29)11-17)35-26(37)21-10-16(14-33-24(21)25(30)31)15-34-27(38)28(2,3)32/h5-14,25H,4,15H2,1-3H3,(H,34,38)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286037
PNG
(N-(2-(3-Chlorophenyl)-1-ethyl-1H-indol-5-yl)-2-(di...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C28H26ClF3N4O2/c1-4-36-22-9-8-20(12-18(22)13-23(36)17-6-5-7-19(29)11-17)35-26(37)21-10-16(14-33-24(21)25(30)31)15-34-27(38)28(2,3)32/h5-14,25H,4,15H2,1-3H3,(H,34,38)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286048
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-9-20(23(24(29)30)32-13-15)25(36)34-19-7-8-21-17(11-19)12-22(35(21)3)16-5-4-6-18(28)10-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286048
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-9-20(23(24(29)30)32-13-15)25(36)34-19-7-8-21-17(11-19)12-22(35(21)3)16-5-4-6-18(28)10-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286051
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-pyrrolo[2,3-c]py...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ncc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H23ClF3N5O2/c1-26(2,30)25(37)33-12-14-7-18(22(23(28)29)32-11-14)24(36)34-21-10-16-9-19(35(3)20(16)13-31-21)15-5-4-6-17(27)8-15/h4-11,13,23H,12H2,1-3H3,(H,33,37)(H,31,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286051
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-pyrrolo[2,3-c]py...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ncc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H23ClF3N5O2/c1-26(2,30)25(37)33-12-14-7-18(22(23(28)29)32-11-14)24(36)34-21-10-16-9-19(35(3)20(16)13-31-21)15-5-4-6-17(27)8-15/h4-11,13,23H,12H2,1-3H3,(H,33,37)(H,31,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286044
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES COCCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)C1=CC=C(CC1)C(F)(F)F
Show InChI InChI=1S/C30H30F6N4O3/c1-29(2,33)28(42)38-16-17-12-22(25(26(31)32)37-15-17)27(41)39-21-8-9-23-19(13-21)14-24(40(23)10-11-43-3)18-4-6-20(7-5-18)30(34,35)36/h4,6,8-9,12-15,26H,5,7,10-11,16H2,1-3H3,(H,38,42)(H,39,41)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286063
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(cc2c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H21F6N3O3/c1-26(2,30)25(38)35-13-14-8-19(22(23(28)29)34-12-14)24(37)36-18-6-7-20-16(10-18)11-21(39-20)15-4-3-5-17(9-15)27(31,32)33/h3-12,23H,13H2,1-2H3,(H,35,38)(H,36,37)
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n/an/a 14.1n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286027
PNG
(2-(Difluoromethyl)-N-(1-methyl-2-(4-(trifluorometh...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H25F5N4O2/c1-15(2)26(38)35-14-16-10-21(24(25(29)30)34-13-16)27(39)36-20-8-9-22-18(11-20)12-23(37(22)3)17-4-6-19(7-5-17)28(31,32)33/h4-13,15,25H,14H2,1-3H3,(H,35,38)(H,36,39)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286059
PNG
(2-(Difluoromethyl)-5-(((1-methylcyclopropanecarbon...)
Show SMILES CC1(CC1)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H21F5N4O3/c1-26(8-9-26)25(38)34-13-14-10-18(21(22(28)29)33-12-14)23(37)35-17-6-7-20-19(11-17)36-24(39-20)15-2-4-16(5-3-15)27(30,31)32/h2-7,10-12,22H,8-9,13H2,1H3,(H,34,38)(H,35,37)
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n/an/a 16n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286029
PNG
(2-Chloro-N-(2(4-fluorophenyl)-1-methyl-1H-indol-5-...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27ClFN3O2/c1-28(2,3)27(35)31-16-17-5-11-23(29)22(13-17)26(34)32-21-10-12-24-19(14-21)15-25(33(24)4)18-6-8-20(30)9-7-18/h5-15H,16H2,1-4H3,(H,31,35)(H,32,34)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286029
PNG
(2-Chloro-N-(2(4-fluorophenyl)-1-methyl-1H-indol-5-...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27ClFN3O2/c1-28(2,3)27(35)31-16-17-5-11-23(29)22(13-17)26(34)32-21-10-12-24-19(14-21)15-25(33(24)4)18-6-8-20(30)9-7-18/h5-15H,16H2,1-4H3,(H,31,35)(H,32,34)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286030
PNG
(N-(2-(4-Chlorophenyl)-1-methyl-1H-indol-5-yl-2-(di...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n(C)c(cc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H25ClF2N4O2/c1-15(2)26(35)32-14-16-10-21(24(25(29)30)31-13-16)27(36)33-20-8-9-22-18(11-20)12-23(34(22)3)17-4-6-19(28)7-5-17/h4-13,15,25H,14H2,1-3H3,(H,32,35)(H,33,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286055
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(Cc2c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H25F5N4O2/c1-15(2)25(37)34-12-16-9-22(23(24(28)29)33-11-16)26(38)35-20-6-3-17-13-36(14-18(17)10-20)21-7-4-19(5-8-21)27(30,31)32/h3-11,15,24H,12-14H2,1-2H3,(H,34,37)(H,35,38)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286046
PNG
((S)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m0/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286046
PNG
((S)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m0/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286046
PNG
((S)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m0/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286041
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2nn(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H22F5N5O2/c1-14(2)24(37)33-12-15-9-20(22(23(27)28)32-11-15)25(38)34-18-5-8-21-16(10-18)13-36(35-21)19-6-3-17(4-7-19)26(29,30)31/h3-11,13-14,23H,12H2,1-2H3,(H,33,37)(H,34,38)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286031
PNG
(N-(2-(4-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-10-20(23(24(29)30)32-13-15)25(36)34-19-8-9-21-17(11-19)12-22(35(21)3)16-4-6-18(28)7-5-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286031
PNG
(N-(2-(4-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-10-20(23(24(29)30)32-13-15)25(36)34-19-8-9-21-17(11-19)12-22(35(21)3)16-4-6-18(28)7-5-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286047
PNG
((R)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m1/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286047
PNG
((R)-2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-prop...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@@H]3CCOC3)c(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H28F6N4O3/c1-30(2,34)29(43)39-15-17-11-23(26(27(32)33)38-14-17)28(42)40-21-7-8-24-19(12-21)13-25(41(24)22-9-10-44-16-22)18-3-5-20(6-4-18)31(35,36)37/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,39,43)(H,40,42)/t22-/m1/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286062
PNG
((R)-N-(2-(4-Chlorophenyl)-1-(tetrahydrofuran-3-yl)...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2n([C@@H]3CCOC3)c(cc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H28ClF3N4O3/c1-30(2,34)29(40)36-15-17-11-23(26(27(32)33)35-14-17)28(39)37-21-7-8-24-19(12-21)13-25(18-3-5-20(31)6-4-18)38(24)22-9-10-41-16-22/h3-8,11-14,22,27H,9-10,15-16H2,1-2H3,(H,36,40)(H,37,39)/t22-/m1/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286026
PNG
(2-Chloro-N-(1-ethyl-2-(4-fluorophenyl)-1H-indol-5-...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C29H29ClFN3O2/c1-5-34-25-13-11-22(15-20(25)16-26(34)19-7-9-21(31)10-8-19)33-27(35)23-14-18(6-12-24(23)30)17-32-28(36)29(2,3)4/h6-16H,5,17H2,1-4H3,(H,32,36)(H,33,35)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286070
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(C(=O)c2c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H22F6N4O3/c1-26(2,30)25(40)35-12-14-8-20(21(22(28)29)34-11-14)23(38)36-17-7-6-15-13-37(24(39)19(15)10-17)18-5-3-4-16(9-18)27(31,32)33/h3-11,22H,12-13H2,1-2H3,(H,35,40)(H,36,38)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286031
PNG
(N-(2-(4-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-10-20(23(24(29)30)32-13-15)25(36)34-19-8-9-21-17(11-19)12-22(35(21)3)16-4-6-18(28)7-5-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286031
PNG
(N-(2-(4-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H24ClF3N4O2/c1-27(2,31)26(37)33-14-15-10-20(23(24(29)30)32-13-15)25(36)34-19-8-9-21-17(11-19)12-22(35(21)3)16-4-6-18(28)7-5-16/h4-13,24H,14H2,1-3H3,(H,33,37)(H,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286024
PNG
(2-(Difluoromethyl)-N-(1-ethyl-2-(4-fluorophenyl)-1...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)C)cnc3C(F)F)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H27F3N4O2/c1-4-35-23-10-9-21(12-19(23)13-24(35)18-5-7-20(29)8-6-18)34-28(37)22-11-17(14-32-25(22)26(30)31)15-33-27(36)16(2)3/h5-14,16,26H,4,15H2,1-3H3,(H,33,36)(H,34,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286052
PNG
(N-(2-(3-Chlorophenyl)-1-ethyl-1H-pyrrolo[3,2-b]pyr...)
Show SMILES CCn1c(cc2nc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H25ClF3N5O2/c1-4-36-20-8-9-22(34-19(20)12-21(36)16-6-5-7-17(28)11-16)35-25(37)18-10-15(13-32-23(18)24(29)30)14-33-26(38)27(2,3)31/h5-13,24H,4,14H2,1-3H3,(H,33,38)(H,34,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286055
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(Cc2c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H25F5N4O2/c1-15(2)25(37)34-12-16-9-22(23(24(28)29)33-11-16)26(38)35-20-6-3-17-13-36(14-18(17)10-20)21-7-4-19(5-8-21)27(30,31)32/h3-11,15,24H,12-14H2,1-2H3,(H,34,37)(H,35,38)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286052
PNG
(N-(2-(3-Chlorophenyl)-1-ethyl-1H-pyrrolo[3,2-b]pyr...)
Show SMILES CCn1c(cc2nc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H25ClF3N5O2/c1-4-36-20-8-9-22(34-19(20)12-21(36)16-6-5-7-17(28)11-16)35-25(37)18-10-15(13-32-23(18)24(29)30)14-33-26(38)27(2,3)31/h5-13,24H,4,14H2,1-3H3,(H,33,38)(H,34,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286032
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H24F6N4O2/c1-27(2,31)26(40)36-14-15-10-20(23(24(29)30)35-13-15)25(39)37-19-8-9-21-17(11-19)12-22(38(21)3)16-4-6-18(7-5-16)28(32,33)34/h4-13,24H,14H2,1-3H3,(H,36,40)(H,37,39)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286064
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(Cc2c1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H24F6N4O2/c1-26(2,30)25(39)35-12-15-8-21(22(23(28)29)34-11-15)24(38)36-19-7-6-16-13-37(14-17(16)9-19)20-5-3-4-18(10-20)27(31,32)33/h3-11,23H,12-14H2,1-2H3,(H,35,39)(H,36,38)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286061
PNG
((S)-N-(2-(4-Chlorophenyl)-1-(-tetrahydrofuran-3-yl...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1cnc2n(ccc2c1)[C@H]1CCOC1
Show InChI InChI=1S/C23H24F3N5O3/c1-23(2,26)22(33)29-10-13-7-17(18(19(24)25)27-9-13)21(32)30-15-8-14-3-5-31(20(14)28-11-15)16-4-6-34-12-16/h3,5,7-9,11,16,19H,4,6,10,12H2,1-2H3,(H,29,33)(H,30,32)/t16-/m0/s1
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286056
PNG
(2-Chloro-5-(((1-methylcyclopropanecarbonyl)amino)m...)
Show SMILES CC1(CC1)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H21ClF3N3O3/c1-26(10-11-26)25(36)32-14-15-2-8-20(28)19(12-15)23(35)33-18-7-9-22-21(13-18)34-24(37-22)16-3-5-17(6-4-16)27(29,30)31/h2-9,12-13H,10-11,14H2,1H3,(H,32,36)(H,33,35)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286060
PNG
(N-(2-(4-Chlorophenyl)benzo[d]oxazol-5-yl)-2-(diflu...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClF2N4O3/c1-13(2)23(33)30-12-14-9-18(21(22(27)28)29-11-14)24(34)31-17-7-8-20-19(10-17)32-25(35-20)15-3-5-16(26)6-4-15/h3-11,13,22H,12H2,1-2H3,(H,30,33)(H,31,34)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286033
PNG
(2-Chloro-N-(2-(4-chlorophenyl)indazol-5-yl)-5-((2,...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2nn(cc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24Cl2N4O2/c1-26(2,3)25(34)29-14-16-4-10-22(28)21(12-16)24(33)30-19-7-11-23-17(13-19)15-32(31-23)20-8-5-18(27)6-9-20/h4-13,15H,14H2,1-3H3,(H,29,34)(H,30,33)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286071
PNG
(2-Chloro-N-(1-ethyl-2-(4-fluorophenyl)-1H-pyrrolo[...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H28ClFN4O2/c1-5-34-24(18-7-9-20(30)10-8-18)14-19-13-21(16-31-25(19)34)33-26(35)22-12-17(6-11-23(22)29)15-32-27(36)28(2,3)4/h6-14,16H,5,15H2,1-4H3,(H,32,36)(H,33,35)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286067
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C26H20F6N4O3/c1-25(2,29)24(38)34-12-13-8-17(20(21(27)28)33-11-13)22(37)35-16-6-7-19-18(10-16)36-23(39-19)14-4-3-5-15(9-14)26(30,31)32/h3-11,21H,12H2,1-2H3,(H,34,38)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286066
PNG
(2-Chloro-N-(2-(4-chlorophenyl)-1-methyl-1H-benzo[d...)
Show SMILES Cn1c(nc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N4O2/c1-27(2,3)26(35)30-15-16-5-11-21(29)20(13-16)25(34)31-19-10-12-23-22(14-19)32-24(33(23)4)17-6-8-18(28)9-7-17/h5-14H,15H2,1-4H3,(H,30,35)(H,31,34)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286054
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H22F5N3O3/c1-14(2)25(36)34-13-15-9-20(23(24(28)29)33-12-15)26(37)35-19-7-8-21-17(10-19)11-22(38-21)16-3-5-18(6-4-16)27(30,31)32/h3-12,14,24H,13H2,1-2H3,(H,34,36)(H,35,37)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286050
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-pyrrolo[3,2-b]py...)
Show SMILES Cn1c(cc2nc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H23ClF3N5O2/c1-26(2,30)25(37)32-13-14-9-17(22(23(28)29)31-12-14)24(36)34-21-8-7-19-18(33-21)11-20(35(19)3)15-5-4-6-16(27)10-15/h4-12,23H,13H2,1-3H3,(H,32,37)(H,33,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286050
PNG
(N-(2-(3-Chlorophenyl)-1-methyl-1H-pyrrolo[3,2-b]py...)
Show SMILES Cn1c(cc2nc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H23ClF3N5O2/c1-26(2,30)25(37)32-13-14-9-17(22(23(28)29)31-12-14)24(36)34-21-8-7-19-18(33-21)11-20(35(19)3)15-5-4-6-16(27)10-15/h4-12,23H,13H2,1-3H3,(H,32,37)(H,33,34,36)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286032
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H24F6N4O2/c1-27(2,31)26(40)36-14-15-10-20(23(24(29)30)35-13-15)25(39)37-19-8-9-21-17(11-19)12-22(38(21)3)16-4-6-18(7-5-16)28(32,33)34/h4-13,24H,14H2,1-3H3,(H,36,40)(H,37,39)
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Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286039
PNG
(2-Chloro-5-((2,2-dimethylpropanoylamino)methyl)-N-...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H23ClF3N3O3/c1-26(2,3)25(36)32-14-15-4-10-20(28)19(12-15)23(35)33-18-9-11-22-21(13-18)34-24(37-22)16-5-7-17(8-6-16)27(29,30)31/h4-13H,14H2,1-3H3,(H,32,36)(H,33,35)
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n/an/a 38.8n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286036
PNG
(N-(2-(2-Chlorophenyl)-1-ethyl-1H-indol-5-yl)-2-(di...)
Show SMILES CCn1c(cc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClF3N4O2/c1-4-36-22-10-9-18(12-17(22)13-23(36)19-7-5-6-8-21(19)29)35-26(37)20-11-16(14-33-24(20)25(30)31)15-34-27(38)28(2,3)32/h5-14,25H,4,15H2,1-3H3,(H,34,38)(H,35,37)
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n/an/a 42.6n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286053
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F5N4O3/c1-13(2)23(36)33-12-14-9-18(21(22(27)28)32-11-14)24(37)34-17-7-8-20-19(10-17)35-25(38-20)15-3-5-16(6-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,37)
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n/an/a 42.9n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286041
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2nn(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H22F5N5O2/c1-14(2)24(37)33-12-15-9-20(22(23(27)28)32-11-15)25(38)34-18-5-8-21-16(10-18)13-36(35-21)19-6-3-17(4-7-19)26(29,30)31/h3-11,13-14,23H,12H2,1-2H3,(H,33,37)(H,34,38)
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n/an/a 45.6n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286043
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2CN(Cc2c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H24F6N4O2/c1-26(2,30)25(39)35-12-15-9-21(22(23(28)29)34-11-15)24(38)36-19-6-3-16-13-37(14-17(16)10-19)20-7-4-18(5-8-20)27(31,32)33/h3-11,23H,12-14H2,1-2H3,(H,35,39)(H,36,38)
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n/an/a 46n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286065
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2nc(sc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F5N4O2S/c1-13(2)23(36)33-12-14-9-18(21(22(27)28)32-11-14)24(37)34-17-7-8-19-20(10-17)38-25(35-19)15-3-5-16(6-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,37)
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n/an/a 47.1n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286042
PNG
(2-Chloro-5-((2,2-dimethylpropanoylamino)methyl)-N-...)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ccc2CN(Cc2c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H27ClF3N3O2/c1-27(2,3)26(37)33-14-17-4-11-24(29)23(12-17)25(36)34-21-8-5-18-15-35(16-19(18)13-21)22-9-6-20(7-10-22)28(30,31)32/h4-13H,14-16H2,1-3H3,(H,33,37)(H,34,36)
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n/an/a 47.6n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286040
PNG
(2-(Difluoromethyl)-5-(((2-fluoro-2-methyl-propanoy...)
Show SMILES CC(C)(F)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H20F6N4O3/c1-25(2,29)24(38)34-12-13-9-17(20(21(27)28)33-11-13)22(37)35-16-7-8-19-18(10-16)36-23(39-19)14-3-5-15(6-4-14)26(30,31)32/h3-11,21H,12H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 49n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286060
PNG
(N-(2-(4-Chlorophenyl)benzo[d]oxazol-5-yl)-2-(diflu...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClF2N4O3/c1-13(2)23(33)30-12-14-9-18(21(22(27)28)29-11-14)24(34)31-17-7-8-20-19(10-17)32-25(35-20)15-3-5-16(26)6-4-15/h3-11,13,22H,12H2,1-2H3,(H,30,33)(H,31,34)
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n/an/a 49.4n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286073
PNG
(2-Chloro-N-(2-(4-chlorophenyl)-1-ethyl-1H-benzo[d]...)
Show SMILES CCn1c(nc2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Cl)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28Cl2N4O2/c1-5-34-24-13-11-20(15-23(24)33-25(34)18-7-9-19(29)10-8-18)32-26(35)21-14-17(6-12-22(21)30)16-31-27(36)28(2,3)4/h6-15H,5,16H2,1-4H3,(H,31,36)(H,32,35)
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n/an/a 55.2n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286038
PNG
(N-(2-(4-Chlorophenyl)-1-methyl-1H-indol-5-yl)-2-(d...)
Show SMILES Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C4(CC4)C(F)(F)F)cnc3C(F)F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H22ClF5N4O2/c1-38-21-7-6-19(11-17(21)12-22(38)16-2-4-18(29)5-3-16)37-25(39)20-10-15(13-35-23(20)24(30)31)14-36-26(40)27(8-9-27)28(32,33)34/h2-7,10-13,24H,8-9,14H2,1H3,(H,36,40)(H,37,39)
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n/an/a 57.4n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286059
PNG
(2-(Difluoromethyl)-5-(((1-methylcyclopropanecarbon...)
Show SMILES CC1(CC1)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H21F5N4O3/c1-26(8-9-26)25(38)34-13-14-10-18(21(22(28)29)33-12-14)23(37)35-17-6-7-20-19(11-17)36-24(39-20)15-2-4-16(5-3-15)27(30,31)32/h2-7,10-12,22H,8-9,13H2,1H3,(H,34,38)(H,35,37)
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n/an/a 58.2n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286065
PNG
(2-(Difluoromethyl)-5-((2-methylpropanoylamino)meth...)
Show SMILES CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2nc(sc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H21F5N4O2S/c1-13(2)23(36)33-12-14-9-18(21(22(27)28)32-11-14)24(37)34-17-7-8-19-20(10-17)38-25(35-19)15-3-5-16(6-4-15)26(29,30)31/h3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,37)
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n/an/a 58.5n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM286072
PNG
(2-Bromo-N-(1-ethyl-3-(4-fluorophenyl)-1Hindol-5-yl...)
Show SMILES CCn1cc(-c2ccc(F)cc2)c2cc(NC(=O)c3cc(CNC(=O)C(C)(C)C)ccc3Br)ccc12
Show InChI InChI=1S/C29H29BrFN3O2/c1-5-34-17-24(19-7-9-20(31)10-8-19)22-15-21(11-13-26(22)34)33-27(35)23-14-18(6-12-25(23)30)16-32-28(36)29(2,3)4/h6-15,17H,5,16H2,1-4H3,(H,32,36)(H,33,35)
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n/an/a 68.1n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
mPGES1 was diluted with assay buffer and added into plate at 49 μL/well supplemented with 1 μL of compound (the final concentration of each...


US Patent US10081629 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%