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Patent code US10253004

Compile Data Set for Download or QSAR
Found 54 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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375067
PNG
((1R,2R)-2-(5-{(R)-7-Fluoro-4-[4-(3-hydroxy-3-methy...)
Show SMILES Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@@H]1C[C@H]1C(O)=O
Show InChI InChI=1/C30H34FN3O4/c1-16-11-18(38-10-9-30(3,4)37)12-17(2)27(16)19-5-7-23(31)28-20(19)6-8-24(28)34-26-15-32-25(14-33-26)21-13-22(21)29(35)36/h5,7,11-12,14-15,21-22,24,37H,6,8-10,13H2,1-4H3,(H,33,34)(H,35,36)/t21-,22-,24-/s2
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n/an/an/an/a 164n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375137
PNG
(US10253004, Example 51)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)C#N
Show InChI InChI=1/C26H23FN4O2/c1-13-7-15(10-28)8-14(2)24(13)16-3-5-20(27)25-17(16)4-6-21(25)31-23-12-29-22(11-30-23)18-9-19(18)26(32)33/h3,5,7-8,11-12,18-19,21H,4,6,9H2,1-2H3,(H,30,31)(H,32,33)/t18-,19-,21+/s2
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n/an/an/an/a 9n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375109
PNG
(US10253004, Example 23)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2ccc(cc2)-c2cnco2)cn1
Show InChI InChI=1/C26H21FN4O3/c27-20-7-5-16(14-1-3-15(4-2-14)23-11-28-13-34-23)17-6-8-21(25(17)20)31-24-12-29-22(10-30-24)18-9-19(18)26(32)33/h1-5,7,10-13,18-19,21H,6,8-9H2,(H,30,31)(H,32,33)/t18-,19-,21+/s2
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n/an/an/an/a 144n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375124
PNG
(US10253004, Example 38)
Show SMILES Cc1cnc(nc1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C30H28FN5O2/c1-15-11-34-29(35-12-15)18-8-16(2)27(17(3)9-18)19-4-6-23(31)28-20(19)5-7-24(28)36-26-14-32-25(13-33-26)21-10-22(21)30(37)38/h4,6,8-9,11-14,21-22,24H,5,7,10H2,1-3H3,(H,33,36)(H,37,38)/t21-,22-,24+/s2
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n/an/an/an/a 4n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375126
PNG
(US10253004, Example 40)
Show SMILES CC(C)c1ccccc1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C26H26FN3O2/c1-14(2)15-5-3-4-6-16(15)17-7-9-21(27)25-18(17)8-10-22(25)30-24-13-28-23(12-29-24)19-11-20(19)26(31)32/h3-7,9,12-14,19-20,22H,8,10-11H2,1-2H3,(H,29,30)(H,31,32)/t19-,20-,22+/s2
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n/an/an/an/a 16n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM374855
PNG
(US10253004, Example 1 | trans-2-(5-{(R)-7-Fluoro-4...)
Show SMILES Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)C1C[C@@H]1C(O)=O
Show InChI InChI=1/C30H34FN3O4/c1-16-11-18(38-10-9-30(3,4)37)12-17(2)27(16)19-5-7-23(31)28-20(19)6-8-24(28)34-26-15-32-25(14-33-26)21-13-22(21)29(35)36/h5,7,11-12,14-15,21-22,24,37H,6,8-10,13H2,1-4H3,(H,33,34)(H,35,36)/t21?,22-,24+/s2
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n/an/an/an/a 7n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375091
PNG
((1R,2R)-2-(5-{(R)-7-Fluoro-4-[4-(3-methanesulfonyl...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@@H]1C[C@H]1C(O)=O
Show InChI InChI=1/C29H32FN3O5S/c1-16-11-18(38-9-4-10-39(3,36)37)12-17(2)27(16)19-5-7-23(30)28-20(19)6-8-24(28)33-26-15-31-25(14-32-26)21-13-22(21)29(34)35/h5,7,11-12,14-15,21-22,24H,4,6,8-10,13H2,1-3H3,(H,32,33)(H,34,35)/t21-,22-,24-/s2
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n/an/an/an/a 519n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375098
PNG
(US10253004, Example 12)
Show SMILES Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C31H34FN3O6S/c1-17-11-19(41-16-31(38)7-9-42(39,40)10-8-31)12-18(2)28(17)20-3-5-24(32)29-21(20)4-6-25(29)35-27-15-33-26(14-34-27)22-13-23(22)30(36)37/h3,5,11-12,14-15,22-23,25,38H,4,6-10,13,16H2,1-2H3,(H,34,35)(H,36,37)/t22-,23-,25+/s2
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n/an/an/an/a 14n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375113
PNG
(US10253004, Example 27)
Show SMILES Cc1cc(O[C@@H]2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C29H30FN3O4/c1-15-9-18(37-17-7-8-36-14-17)10-16(2)27(15)19-3-5-23(30)28-20(19)4-6-24(28)33-26-13-31-25(12-32-26)21-11-22(21)29(34)35/h3,5,9-10,12-13,17,21-22,24H,4,6-8,11,14H2,1-2H3,(H,32,33)(H,34,35)/t17-,21+,22+,24-/s2
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n/an/an/an/a 13n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375115
PNG
(US10253004, Example 29)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C25H22Cl2FN3O4/c1-34-18-8-19(35-2)24(27)22(23(18)26)12-3-5-15(28)21-11(12)4-6-16(21)31-20-10-29-17(9-30-20)13-7-14(13)25(32)33/h3,5,8-10,13-14,16H,4,6-7H2,1-2H3,(H,30,31)(H,32,33)/t13-,14-,16+/s2
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n/an/an/an/a 5n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375117
PNG
(US10253004, Example 31)
Show SMILES Cc1cc(OC2CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C30H32FN3O4/c1-16-11-19(38-18-7-9-37-10-8-18)12-17(2)28(16)20-3-5-24(31)29-21(20)4-6-25(29)34-27-15-32-26(14-33-27)22-13-23(22)30(35)36/h3,5,11-12,14-15,18,22-23,25H,4,6-10,13H2,1-2H3,(H,33,34)(H,35,36)/t22-,23-,25+/s2
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n/an/an/an/a 9n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375120
PNG
(US10253004, Example 34)
Show SMILES Cc1cc(Cc2ccccc2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C32H30FN3O2/c1-18-12-21(14-20-6-4-3-5-7-20)13-19(2)30(18)22-8-10-26(33)31-23(22)9-11-27(31)36-29-17-34-28(16-35-29)24-15-25(24)32(37)38/h3-8,10,12-13,16-17,24-25,27H,9,11,14-15H2,1-2H3,(H,35,36)(H,37,38)/t24-,25-,27+/s2
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n/an/an/an/a 9n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375122
PNG
(US10253004, Example 36)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1ccnn1C
Show InChI InChI=1/C29H28FN5O2/c1-15-10-17(25-8-9-33-35(25)3)11-16(2)27(15)18-4-6-22(30)28-19(18)5-7-23(28)34-26-14-31-24(13-32-26)20-12-21(20)29(36)37/h4,6,8-11,13-14,20-21,23H,5,7,12H2,1-3H3,(H,32,34)(H,36,37)/t20-,21-,23+/s2
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n/an/an/an/a 12n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375131
PNG
(US10253004, Example 45)
Show SMILES CNC(=O)c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C27H27FN4O3/c1-13-8-15(26(33)29-3)9-14(2)24(13)16-4-6-20(28)25-17(16)5-7-21(25)32-23-12-30-22(11-31-23)18-10-19(18)27(34)35/h4,6,8-9,11-12,18-19,21H,5,7,10H2,1-3H3,(H,29,33)(H,31,32)(H,34,35)/t18-,19-,21+/s2
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n/an/an/an/a 23n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375135
PNG
(US10253004, Example 49)
Show SMILES CCc1cccc(CC)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C27H28FN3O2/c1-3-15-6-5-7-16(4-2)25(15)17-8-10-21(28)26-18(17)9-11-22(26)31-24-14-29-23(13-30-24)19-12-20(19)27(32)33/h5-8,10,13-14,19-20,22H,3-4,9,11-12H2,1-2H3,(H,30,31)(H,32,33)/t19-,20-,22+/s2
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n/an/an/an/a 4n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375138
PNG
(US10253004, Example 52)
Show SMILES Cc1cc(OCC2(O)CCSCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C31H34FN3O4S/c1-17-11-19(39-16-31(38)7-9-40-10-8-31)12-18(2)28(17)20-3-5-24(32)29-21(20)4-6-25(29)35-27-15-33-26(14-34-27)22-13-23(22)30(36)37/h3,5,11-12,14-15,22-23,25,38H,4,6-10,13,16H2,1-2H3,(H,34,35)(H,36,37)/t22-,23-,25+/s2
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n/an/an/an/a 10n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375102
PNG
(US10253004, Example 16)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2c(F)cccc2F)cn1
Show InChI InChI=1/C23H18F3N3O2/c24-15-2-1-3-16(25)21(15)11-4-6-17(26)22-12(11)5-7-18(22)29-20-10-27-19(9-28-20)13-8-14(13)23(30)31/h1-4,6,9-10,13-14,18H,5,7-8H2,(H,28,29)(H,30,31)/t13-,14-,18+/s2
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n/an/an/an/a 77n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375096
PNG
(US10253004, Example 10 | US10253004, Example 28)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)C(N)=O
Show InChI InChI=1/C26H25FN4O3/c1-12-7-14(25(28)32)8-13(2)23(12)15-3-5-19(27)24-16(15)4-6-20(24)31-22-11-29-21(10-30-22)17-9-18(17)26(33)34/h3,5,7-8,10-11,17-18,20H,4,6,9H2,1-2H3,(H2,28,32)(H,30,31)(H,33,34)/t17-,18-,20+/s2
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n/an/an/an/a 9n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375130
PNG
(US10253004, Example 44)
Show SMILES COc1cc(F)c(c(F)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C24H20F3N3O3/c1-33-11-6-17(26)22(18(27)7-11)12-2-4-16(25)23-13(12)3-5-19(23)30-21-10-28-20(9-29-21)14-8-15(14)24(31)32/h2,4,6-7,9-10,14-15,19H,3,5,8H2,1H3,(H,29,30)(H,31,32)/t14-,15-,19+/s2
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n/an/an/an/a 90n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375139
PNG
(US10253004, Example 53)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2c(cccc2C#C)C#C)cn1
Show InChI InChI=1/C27H20FN3O2/c1-3-15-6-5-7-16(4-2)25(15)17-8-10-21(28)26-18(17)9-11-22(26)31-24-14-29-23(13-30-24)19-12-20(19)27(32)33/h1-2,5-8,10,13-14,19-20,22H,9,11-12H2,(H,30,31)(H,32,33)/t19-,20-,22+/s2
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n/an/an/an/a 4.26E+3n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375099
PNG
(US10253004, Example 13)
Show SMILES Cc1cc(OCC2CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C31H34FN3O4/c1-17-11-20(39-16-19-7-9-38-10-8-19)12-18(2)29(17)21-3-5-25(32)30-22(21)4-6-26(30)35-28-15-33-27(14-34-28)23-13-24(23)31(36)37/h3,5,11-12,14-15,19,23-24,26H,4,6-10,13,16H2,1-2H3,(H,34,35)(H,36,37)/t23-,24-,26+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375103
PNG
(US10253004, Example 17)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2ccccc2C(F)(F)F)cn1
Show InChI InChI=1/C24H19F4N3O2/c25-18-7-5-12(13-3-1-2-4-17(13)24(26,27)28)14-6-8-19(22(14)18)31-21-11-29-20(10-30-21)15-9-16(15)23(32)33/h1-5,7,10-11,15-16,19H,6,8-9H2,(H,30,31)(H,32,33)/t15-,16-,19+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375110
PNG
(US10253004, Example 24)
Show SMILES COc1cc(OC)c(c(OC)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C26H26FN3O5/c1-33-13-8-21(34-2)25(22(9-13)35-3)15-4-6-18(27)24-14(15)5-7-19(24)30-23-12-28-20(11-29-23)16-10-17(16)26(31)32/h4,6,8-9,11-12,16-17,19H,5,7,10H2,1-3H3,(H,29,30)(H,31,32)/t16-,17-,19+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375118
PNG
(US10253004, Example 32)
Show SMILES Cc1cc(OCC2(C)COC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C30H32FN3O4/c1-16-8-18(38-15-30(3)13-37-14-30)9-17(2)27(16)19-4-6-23(31)28-20(19)5-7-24(28)34-26-12-32-25(11-33-26)21-10-22(21)29(35)36/h4,6,8-9,11-12,21-22,24H,5,7,10,13-15H2,1-3H3,(H,33,34)(H,35,36)/t21-,22-,24+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375121
PNG
(US10253004, Example 35)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1
Show InChI InChI=1/C27H26FN7O2/c1-13-8-15(26-32-34-35(3)33-26)9-14(2)24(13)16-4-6-20(28)25-17(16)5-7-21(25)31-23-12-29-22(11-30-23)18-10-19(18)27(36)37/h4,6,8-9,11-12,18-19,21H,5,7,10H2,1-3H3,(H,30,31)(H,36,37)/t18-,19-,21+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375125
PNG
(US10253004, Example 39)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1nnnn1CC(C)(C)O
Show InChI InChI=1/C30H32FN7O3/c1-15-9-17(28-35-36-37-38(28)14-30(3,4)41)10-16(2)26(15)18-5-7-22(31)27-19(18)6-8-23(27)34-25-13-32-24(12-33-25)20-11-21(20)29(39)40/h5,7,9-10,12-13,20-21,23,41H,6,8,11,14H2,1-4H3,(H,33,34)(H,39,40)/t20-,21-,23+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375072
PNG
((1S,2S)-2-(5-{(R)-7-Fluoro-4-[4-(3-methanesulfonyl...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C29H32FN3O5S/c1-16-11-18(38-9-4-10-39(3,36)37)12-17(2)27(16)19-5-7-23(30)28-20(19)6-8-24(28)33-26-15-31-25(14-32-26)21-13-22(21)29(34)35/h5,7,11-12,14-15,21-22,24H,4,6,8-10,13H2,1-3H3,(H,32,33)(H,34,35)/t21-,22-,24+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375119
PNG
(US10253004, Example 33)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1ccc(=O)n(C)c1
Show InChI InChI=1/C31H29FN4O3/c1-16-10-19(18-4-9-28(37)36(3)15-18)11-17(2)29(16)20-5-7-24(32)30-21(20)6-8-25(30)35-27-14-33-26(13-34-27)22-12-23(22)31(38)39/h4-5,7,9-11,13-15,22-23,25H,6,8,12H2,1-3H3,(H,34,35)(H,38,39)/t22-,23-,25+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375127
PNG
(US10253004, Example 41)
Show SMILES Cc1cc(OCC2(O)CCOCC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C31H34FN3O5/c1-17-11-19(40-16-31(38)7-9-39-10-8-31)12-18(2)28(17)20-3-5-24(32)29-21(20)4-6-25(29)35-27-15-33-26(14-34-27)22-13-23(22)30(36)37/h3,5,11-12,14-15,22-23,25,38H,4,6-10,13,16H2,1-2H3,(H,34,35)(H,36,37)/t22-,23-,25+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375140
PNG
(US10253004, Example 54)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1cnccn1
Show InChI InChI=1/C29H26FN5O2/c1-15-9-17(24-12-31-7-8-32-24)10-16(2)27(15)18-3-5-22(30)28-19(18)4-6-23(28)35-26-14-33-25(13-34-26)20-11-21(20)29(36)37/h3,5,7-10,12-14,20-21,23H,4,6,11H2,1-2H3,(H,34,35)(H,36,37)/t20-,21-,23+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375093
PNG
((1S,2S)-2-(5-{(R)-4-[4-(3-Hydroxy-3-methyl-butoxy)...)
Show SMILES Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C30H35N3O4/c1-17-12-19(37-11-10-30(3,4)36)13-18(2)28(17)22-7-5-6-21-20(22)8-9-25(21)33-27-16-31-26(15-32-27)23-14-24(23)29(34)35/h5-7,12-13,15-16,23-25,36H,8-11,14H2,1-4H3,(H,32,33)(H,34,35)/t23-,24-,25+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375095
PNG
((1S,2S)-2-(5-{(R)-4-[4-(5-Methoxy-pyrazin-2-yl)-ph...)
Show SMILES COc1cnc(cn1)-c1ccc(cc1)-c1cccc2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C28H25N5O3/c1-36-27-15-30-24(12-32-27)17-7-5-16(6-8-17)18-3-2-4-20-19(18)9-10-23(20)33-26-14-29-25(13-31-26)21-11-22(21)28(34)35/h2-8,12-15,21-23H,9-11H2,1H3,(H,31,33)(H,34,35)/t21-,22-,23+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375101
PNG
(US10253004, Example 15)
Show SMILES Cc1cccc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C25H24FN3O2/c1-13-4-3-5-14(2)23(13)15-6-8-19(26)24-16(15)7-9-20(24)29-22-12-27-21(11-28-22)17-10-18(17)25(30)31/h3-6,8,11-12,17-18,20H,7,9-10H2,1-2H3,(H,28,29)(H,30,31)/t17-,18-,20+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375107
PNG
(US10253004, Example 21)
Show SMILES Cc1ccc(Cl)c(c1Cl)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C24H20Cl2FN3O2/c1-11-2-5-16(25)21(23(11)26)12-3-6-17(27)22-13(12)4-7-18(22)30-20-10-28-19(9-29-20)14-8-15(14)24(31)32/h2-3,5-6,9-10,14-15,18H,4,7-8H2,1H3,(H,29,30)(H,31,32)/t14-,15-,18+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375132
PNG
(US10253004, Example 46)
Show SMILES Cc1cc(CC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C29H32FN3O3/c1-15-9-17(12-29(3,4)36)10-16(2)26(15)18-5-7-22(30)27-19(18)6-8-23(27)33-25-14-31-24(13-32-25)20-11-21(20)28(34)35/h5,7,9-10,13-14,20-21,23,36H,6,8,11-12H2,1-4H3,(H,32,33)(H,34,35)/t20-,21-,23+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM374882
PNG
((1S,2S)-2-(5-{(R)-7-Fluoro-4-[4-(3-hydroxy-3-methy...)
Show SMILES Cc1cc(OCCC(C)(C)O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C30H34FN3O4/c1-16-11-18(38-10-9-30(3,4)37)12-17(2)27(16)19-5-7-23(31)28-20(19)6-8-24(28)34-26-15-32-25(14-33-26)21-13-22(21)29(35)36/h5,7,11-12,14-15,21-22,24,37H,6,8-10,13H2,1-4H3,(H,33,34)(H,35,36)/t21-,22-,24+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375094
PNG
((1S,2S)-2-{5-[(R)-4-(3-Fluoro-4-methoxy-phenyl)-in...)
Show SMILES COc1ccc(cc1F)-c1cccc2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C24H22FN3O3/c1-31-22-8-5-13(9-19(22)25)14-3-2-4-16-15(14)6-7-20(16)28-23-12-26-21(11-27-23)17-10-18(17)24(29)30/h2-5,8-9,11-12,17-18,20H,6-7,10H2,1H3,(H,27,28)(H,29,30)/t17-,18-,20+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375096
PNG
(US10253004, Example 10 | US10253004, Example 28)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)C(N)=O
Show InChI InChI=1/C26H25FN4O3/c1-12-7-14(25(28)32)8-13(2)23(12)15-3-5-19(27)24-16(15)4-6-20(24)31-22-11-29-21(10-30-22)17-9-18(17)26(33)34/h3,5,7-8,10-11,17-18,20H,4,6,9H2,1-2H3,(H2,28,32)(H,30,31)(H,33,34)/t17-,18-,20+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375100
PNG
(US10253004, Example 14)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1/C26H24FN3O4/c1-12-7-14(25(31)32)8-13(2)23(12)15-3-5-19(27)24-16(15)4-6-20(24)30-22-11-28-21(10-29-22)17-9-18(17)26(33)34/h3,5,7-8,10-11,17-18,20H,4,6,9H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)/t17-,18-,20+/s2
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n/an/an/an/a 355n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375104
PNG
(US10253004, Example 18)
Show SMILES Nc1cc(F)c(c(F)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C23H19F3N4O2/c24-15-3-1-11(21-16(25)5-10(27)6-17(21)26)12-2-4-18(22(12)15)30-20-9-28-19(8-29-20)13-7-14(13)23(31)32/h1,3,5-6,8-9,13-14,18H,2,4,7,27H2,(H,29,30)(H,31,32)/t13-,14-,18+/s2
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n/an/an/an/a 150n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375108
PNG
(US10253004, Example 22)
Show SMILES COc1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C26H26FN3O3/c1-13-8-15(33-3)9-14(2)24(13)16-4-6-20(27)25-17(16)5-7-21(25)30-23-12-28-22(11-29-23)18-10-19(18)26(31)32/h4,6,8-9,11-12,18-19,21H,5,7,10H2,1-3H3,(H,29,30)(H,31,32)/t18-,19-,21+/s2
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n/an/an/an/a 8n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375128
PNG
(US10253004, Example 42)
Show SMILES COc1cc(ccn1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C31H29FN4O3/c1-16-10-19(18-8-9-33-28(12-18)39-3)11-17(2)29(16)20-4-6-24(32)30-21(20)5-7-25(30)36-27-15-34-26(14-35-27)22-13-23(22)31(37)38/h4,6,8-12,14-15,22-23,25H,5,7,13H2,1-3H3,(H,35,36)(H,37,38)/t22-,23-,25+/s2
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n/an/an/an/a 5n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375129
PNG
(US10253004, Example 43)
Show SMILES Cc1cc(OCC2CCOC2)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C30H32FN3O4/c1-16-9-19(38-15-18-7-8-37-14-18)10-17(2)28(16)20-3-5-24(31)29-21(20)4-6-25(29)34-27-13-32-26(12-33-27)22-11-23(22)30(35)36/h3,5,9-10,12-13,18,22-23,25H,4,6-8,11,14-15H2,1-2H3,(H,33,34)(H,35,36)/t18?,22-,23-,25+/s2
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n/an/an/an/a 18n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375133
PNG
(US10253004, Example 47)
Show SMILES Cc1nc(cs1)-c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C29H27FN4O2S/c1-14-8-17(25-13-37-16(3)33-25)9-15(2)27(14)18-4-6-22(30)28-19(18)5-7-23(28)34-26-12-31-24(11-32-26)20-10-21(20)29(35)36/h4,6,8-9,11-13,20-21,23H,5,7,10H2,1-3H3,(H,32,34)(H,35,36)/t20-,21-,23+/s2
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n/an/an/an/a 19n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375134
PNG
(US10253004, Example 48)
Show SMILES Cc1cc(OCC(O)=O)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C27H26FN3O5/c1-13-7-15(36-12-24(32)33)8-14(2)25(13)16-3-5-20(28)26-17(16)4-6-21(26)31-23-11-29-22(10-30-23)18-9-19(18)27(34)35/h3,5,7-8,10-11,18-19,21H,4,6,9,12H2,1-2H3,(H,30,31)(H,32,33)(H,34,35)/t18-,19-,21+/s2
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n/an/an/an/a 839n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375136
PNG
(US10253004, Example 50)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2c(F)cc(F)cc2F)cn1
Show InChI InChI=1/C23H17F4N3O2/c24-10-5-16(26)21(17(27)6-10)11-1-3-15(25)22-12(11)2-4-18(22)30-20-9-28-19(8-29-20)13-7-14(13)23(31)32/h1,3,5-6,8-9,13-14,18H,2,4,7H2,(H,29,30)(H,31,32)/t13-,14-,18+/s2
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n/an/an/an/a 74n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375097
PNG
(US10253004, Example 11)
Show SMILES Cc1cc(cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1cc(=O)n(C)cn1
Show InChI InChI=1/C30H28FN5O3/c1-15-8-17(24-11-27(37)36(3)14-34-24)9-16(2)28(15)18-4-6-22(31)29-19(18)5-7-23(29)35-26-13-32-25(12-33-26)20-10-21(20)30(38)39/h4,6,8-9,11-14,20-21,23H,5,7,10H2,1-3H3,(H,33,35)(H,38,39)/t20-,21-,23+/s2
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n/an/an/an/a 6n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375105
PNG
(US10253004, Example 19)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2c(F)cc(OC3CC3)cc2F)cn1
Show InChI InChI=1/C26H22F3N3O3/c27-18-5-3-14(24-19(28)7-13(8-20(24)29)35-12-1-2-12)15-4-6-21(25(15)18)32-23-11-30-22(10-31-23)16-9-17(16)26(33)34/h3,5,7-8,10-12,16-17,21H,1-2,4,6,9H2,(H,31,32)(H,33,34)/t16-,17-,21+/s2
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n/an/an/an/a 56n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375106
PNG
(US10253004, Example 20)
Show SMILES CN(C)C(=O)c1cc(C)c(c(C)c1)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C28H29FN4O3/c1-14-9-16(27(34)33(3)4)10-15(2)25(14)17-5-7-21(29)26-18(17)6-8-22(26)32-24-13-30-23(12-31-24)19-11-20(19)28(35)36/h5,7,9-10,12-13,19-20,22H,6,8,11H2,1-4H3,(H,31,32)(H,35,36)/t19-,20-,22+/s2
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n/an/an/an/a 75n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375111
PNG
(US10253004, Example 25)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2c(Cl)cccc2Cl)cn1
Show InChI InChI=1/C23H18Cl2FN3O2/c24-15-2-1-3-16(25)21(15)11-4-6-17(26)22-12(11)5-7-18(22)29-20-10-27-19(9-28-20)13-8-14(13)23(30)31/h1-4,6,9-10,13-14,18H,5,7-8H2,(H,28,29)(H,30,31)/t13-,14-,18+/s2
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n/an/an/an/a 7n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375112
PNG
(US10253004, Example 26)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1cnc(N[C@@H]2CCc3c2c(F)ccc3-c2ccccc2C2(CC2)C#N)cn1
Show InChI InChI=1/C27H23FN4O2/c28-21-7-5-15(16-3-1-2-4-20(16)27(14-29)9-10-27)17-6-8-22(25(17)21)32-24-13-30-23(12-31-24)18-11-19(18)26(33)34/h1-5,7,12-13,18-19,22H,6,8-11H2,(H,31,32)(H,33,34)/t18-,19-,22+/s2
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n/an/an/an/a 367n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375116
PNG
(US10253004, Example 30)
Show SMILES Cc1cc(CO)cc(C)c1-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C26H26FN3O3/c1-13-7-15(12-31)8-14(2)24(13)16-3-5-20(27)25-17(16)4-6-21(25)30-23-11-28-22(10-29-23)18-9-19(18)26(32)33/h3,5,7-8,10-11,18-19,21,31H,4,6,9,12H2,1-2H3,(H,29,30)(H,32,33)/t18-,19-,21+/s2
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n/an/an/an/a 20n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375123
PNG
(US10253004, Example 37)
Show SMILES COc1cc(OC)c(F)c(c1F)-c1ccc(F)c2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O
Show InChI InChI=1/C25H22F3N3O4/c1-34-18-8-19(35-2)24(28)22(23(18)27)12-3-5-15(26)21-11(12)4-6-16(21)31-20-10-29-17(9-30-20)13-7-14(13)25(32)33/h3,5,8-10,13-14,16H,4,6-7H2,1-2H3,(H,30,31)(H,32,33)/t13-,14-,16+/s2
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n/an/an/an/a 81n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM375092
PNG
((1S,2S)-2-(5-{(R)-4-[2,6-Dimethyl-4-(2-methyl-2H-t...)
Show SMILES Cc1cc(cc(C)c1-c1cccc2[C@@H](CCc12)Nc1cnc(cn1)[C@H]1C[C@@H]1C(O)=O)-c1nnn(C)n1
Show InChI InChI=1/C27H27N7O2/c1-14-9-16(26-31-33-34(3)32-26)10-15(2)25(14)19-6-4-5-18-17(19)7-8-22(18)30-24-13-28-23(12-29-24)20-11-21(20)27(35)36/h4-6,9-10,12-13,20-22H,7-8,11H2,1-3H3,(H,29,30)(H,35,36)/t20-,21-,22+/s2
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n/an/an/an/a 3n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
IP1 accumulation measurements using the IPOne assay systemó1321N1 cells stably expressing human GPR40 receptor (Euroscreen, Belgium) are seeded 24 h ...


US Patent US10253004 (2019)

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