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Compile Data Set for Download or QSAR

Found 122 hits from AbbVie B.V.; AbbVie, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321297
PNG
(US10179791, Compound 29)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc23)CC1
Show InChI InChI=1S/C22H23Cl2NO4/c23-18-2-1-3-19(24)16(18)13-28-15-4-5-17-20(12-15)29-14-22(17)7-10-25(11-8-22)9-6-21(26)27/h1-5,12H,6-11,13-14H2,(H,26,27)
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n/an/an/an/a 100n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321297
PNG
(US10179791, Compound 29)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc23)CC1
Show InChI InChI=1S/C22H23Cl2NO4/c23-18-2-1-3-19(24)16(18)13-28-15-4-5-17-20(12-15)29-14-22(17)7-10-25(11-8-22)9-6-21(26)27/h1-5,12H,6-11,13-14H2,(H,26,27)
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n/an/an/an/a<1.00E+4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone a...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321297
PNG
(US10179791, Compound 29)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc23)CC1
Show InChI InChI=1S/C22H23Cl2NO4/c23-18-2-1-3-19(24)16(18)13-28-15-4-5-17-20(12-15)29-14-22(17)7-10-25(11-8-22)9-6-21(26)27/h1-5,12H,6-11,13-14H2,(H,26,27)
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n/an/an/an/a<3.16E+4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321298
PNG
(US10179791, Compound 38)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(F)cccc4Cl)ccc23)CC1
Show InChI InChI=1S/C22H23ClFNO4/c23-18-2-1-3-19(24)16(18)13-28-15-4-5-17-20(12-15)29-14-22(17)7-10-25(11-8-22)9-6-21(26)27/h1-5,12H,6-11,13-14H2,(H,26,27)
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n/an/an/an/a 200n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321298
PNG
(US10179791, Compound 38)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(F)cccc4Cl)ccc23)CC1
Show InChI InChI=1S/C22H23ClFNO4/c23-18-2-1-3-19(24)16(18)13-28-15-4-5-17-20(12-15)29-14-22(17)7-10-25(11-8-22)9-6-21(26)27/h1-5,12H,6-11,13-14H2,(H,26,27)
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n/an/an/an/a<3.16E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321298
PNG
(US10179791, Compound 38)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(F)cccc4Cl)ccc23)CC1
Show InChI InChI=1S/C22H23ClFNO4/c23-18-2-1-3-19(24)16(18)13-28-15-4-5-17-20(12-15)29-14-22(17)7-10-25(11-8-22)9-6-21(26)27/h1-5,12H,6-11,13-14H2,(H,26,27)
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n/an/an/an/a<1.00E+4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321299
PNG
(US10179791, Compound 51)
Show SMILES CCc1ccc(Cl)c(COc2ccc3c(OCC33CCN(CCC(O)=O)CC3)c2)c1
Show InChI InChI=1S/C24H28ClNO4/c1-2-17-3-6-21(25)18(13-17)15-29-19-4-5-20-22(14-19)30-16-24(20)8-11-26(12-9-24)10-7-23(27)28/h3-6,13-14H,2,7-12,15-16H2,1H3,(H,27,28)
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n/an/an/an/a 251n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321299
PNG
(US10179791, Compound 51)
Show SMILES CCc1ccc(Cl)c(COc2ccc3c(OCC33CCN(CCC(O)=O)CC3)c2)c1
Show InChI InChI=1S/C24H28ClNO4/c1-2-17-3-6-21(25)18(13-17)15-29-19-4-5-20-22(14-19)30-16-24(20)8-11-26(12-9-24)10-7-23(27)28/h3-6,13-14H,2,7-12,15-16H2,1H3,(H,27,28)
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n/an/an/an/a<3.16E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321299
PNG
(US10179791, Compound 51)
Show SMILES CCc1ccc(Cl)c(COc2ccc3c(OCC33CCN(CCC(O)=O)CC3)c2)c1
Show InChI InChI=1S/C24H28ClNO4/c1-2-17-3-6-21(25)18(13-17)15-29-19-4-5-20-22(14-19)30-16-24(20)8-11-26(12-9-24)10-7-23(27)28/h3-6,13-14H,2,7-12,15-16H2,1H3,(H,27,28)
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n/an/an/an/a<1.00E+4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321300
PNG
(US10179791, Compound 59)
Show SMILES Cc1cc(Cl)c(COc2ccc3c(OCC33CCN(CCC(O)=O)CC3)c2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl2NO4/c1-15-10-19(24)17(20(25)11-15)13-29-16-2-3-18-21(12-16)30-14-23(18)5-8-26(9-6-23)7-4-22(27)28/h2-3,10-12H,4-9,13-14H2,1H3,(H,27,28)
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n/an/an/an/a 15.8n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321300
PNG
(US10179791, Compound 59)
Show SMILES Cc1cc(Cl)c(COc2ccc3c(OCC33CCN(CCC(O)=O)CC3)c2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl2NO4/c1-15-10-19(24)17(20(25)11-15)13-29-16-2-3-18-21(12-16)30-14-23(18)5-8-26(9-6-23)7-4-22(27)28/h2-3,10-12H,4-9,13-14H2,1H3,(H,27,28)
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n/an/an/an/a<3.16E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321300
PNG
(US10179791, Compound 59)
Show SMILES Cc1cc(Cl)c(COc2ccc3c(OCC33CCN(CCC(O)=O)CC3)c2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl2NO4/c1-15-10-19(24)17(20(25)11-15)13-29-16-2-3-18-21(12-16)30-14-23(18)5-8-26(9-6-23)7-4-22(27)28/h2-3,10-12H,4-9,13-14H2,1H3,(H,27,28)
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n/an/an/an/a<1.00E+4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321301
PNG
(US10179791, Compound 68)
Show SMILES CCc1ccc(Cl)c(COc2ccc3c(OCC33CCN(CCC(O)=O)CC3)c2)c1Cl
Show InChI InChI=1S/C24H27Cl2NO4/c1-2-16-3-6-20(25)18(23(16)26)14-30-17-4-5-19-21(13-17)31-15-24(19)8-11-27(12-9-24)10-7-22(28)29/h3-6,13H,2,7-12,14-15H2,1H3,(H,28,29)
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n/an/an/an/a 31.6n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321301
PNG
(US10179791, Compound 68)
Show SMILES CCc1ccc(Cl)c(COc2ccc3c(OCC33CCN(CCC(O)=O)CC3)c2)c1Cl
Show InChI InChI=1S/C24H27Cl2NO4/c1-2-16-3-6-20(25)18(23(16)26)14-30-17-4-5-19-21(13-17)31-15-24(19)8-11-27(12-9-24)10-7-22(28)29/h3-6,13H,2,7-12,14-15H2,1H3,(H,28,29)
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n/an/an/an/a<3.16E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321301
PNG
(US10179791, Compound 68)
Show SMILES CCc1ccc(Cl)c(COc2ccc3c(OCC33CCN(CCC(O)=O)CC3)c2)c1Cl
Show InChI InChI=1S/C24H27Cl2NO4/c1-2-16-3-6-20(25)18(23(16)26)14-30-17-4-5-19-21(13-17)31-15-24(19)8-11-27(12-9-24)10-7-22(28)29/h3-6,13H,2,7-12,14-15H2,1H3,(H,28,29)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321302
PNG
(US10179791, Compound 74)
Show SMILES CC(C)c1cccc(Cl)c1COc1ccc2c(OCC22CCN(CCC(O)=O)CC2)c1
Show InChI InChI=1S/C25H30ClNO4/c1-17(2)19-4-3-5-22(26)20(19)15-30-18-6-7-21-23(14-18)31-16-25(21)9-12-27(13-10-25)11-8-24(28)29/h3-7,14,17H,8-13,15-16H2,1-2H3,(H,28,29)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321302
PNG
(US10179791, Compound 74)
Show SMILES CC(C)c1cccc(Cl)c1COc1ccc2c(OCC22CCN(CCC(O)=O)CC2)c1
Show InChI InChI=1S/C25H30ClNO4/c1-17(2)19-4-3-5-22(26)20(19)15-30-18-6-7-21-23(14-18)31-16-25(21)9-12-27(13-10-25)11-8-24(28)29/h3-7,14,17H,8-13,15-16H2,1-2H3,(H,28,29)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321303
PNG
(US10179791, Compound 75)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(Cl)cccc4C4CC4)ccc23)CC1
Show InChI InChI=1S/C25H28ClNO4/c26-22-3-1-2-19(17-4-5-17)20(22)15-30-18-6-7-21-23(14-18)31-16-25(21)9-12-27(13-10-25)11-8-24(28)29/h1-3,6-7,14,17H,4-5,8-13,15-16H2,(H,28,29)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321303
PNG
(US10179791, Compound 75)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(Cl)cccc4C4CC4)ccc23)CC1
Show InChI InChI=1S/C25H28ClNO4/c26-22-3-1-2-19(17-4-5-17)20(22)15-30-18-6-7-21-23(14-18)31-16-25(21)9-12-27(13-10-25)11-8-24(28)29/h1-3,6-7,14,17H,4-5,8-13,15-16H2,(H,28,29)
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n/an/an/an/a 2.51E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone a...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321303
PNG
(US10179791, Compound 75)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(Cl)cccc4C4CC4)ccc23)CC1
Show InChI InChI=1S/C25H28ClNO4/c26-22-3-1-2-19(17-4-5-17)20(22)15-30-18-6-7-21-23(14-18)31-16-25(21)9-12-27(13-10-25)11-8-24(28)29/h1-3,6-7,14,17H,4-5,8-13,15-16H2,(H,28,29)
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n/an/an/an/a<1.00E+4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321304
PNG
(US10179791, Compound 77)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(Cl)cccc4OC(F)(F)F)ccc23)CC1
Show InChI InChI=1S/C23H23ClF3NO5/c24-18-2-1-3-19(33-23(25,26)27)16(18)13-31-15-4-5-17-20(12-15)32-14-22(17)7-10-28(11-8-22)9-6-21(29)30/h1-5,12H,6-11,13-14H2,(H,29,30)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321304
PNG
(US10179791, Compound 77)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(Cl)cccc4OC(F)(F)F)ccc23)CC1
Show InChI InChI=1S/C23H23ClF3NO5/c24-18-2-1-3-19(33-23(25,26)27)16(18)13-31-15-4-5-17-20(12-15)32-14-22(17)7-10-28(11-8-22)9-6-21(29)30/h1-5,12H,6-11,13-14H2,(H,29,30)
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n/an/an/an/a 6.31E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone a...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321304
PNG
(US10179791, Compound 77)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OCc4c(Cl)cccc4OC(F)(F)F)ccc23)CC1
Show InChI InChI=1S/C23H23ClF3NO5/c24-18-2-1-3-19(33-23(25,26)27)16(18)13-31-15-4-5-17-20(12-15)32-14-22(17)7-10-28(11-8-22)9-6-21(29)30/h1-5,12H,6-11,13-14H2,(H,29,30)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321305
PNG
(US10179791, Compound 79)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OC4CCc5cc(Cl)cc(Cl)c45)ccc23)CC1
Show InChI InChI=1S/C24H25Cl2NO4/c25-16-11-15-1-4-20(23(15)19(26)12-16)31-17-2-3-18-21(13-17)30-14-24(18)6-9-27(10-7-24)8-5-22(28)29/h2-3,11-13,20H,1,4-10,14H2,(H,28,29)
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n/an/an/an/a 63.1n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321305
PNG
(US10179791, Compound 79)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OC4CCc5cc(Cl)cc(Cl)c45)ccc23)CC1
Show InChI InChI=1S/C24H25Cl2NO4/c25-16-11-15-1-4-20(23(15)19(26)12-16)31-17-2-3-18-21(13-17)30-14-24(18)6-9-27(10-7-24)8-5-22(28)29/h2-3,11-13,20H,1,4-10,14H2,(H,28,29)
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n/an/an/an/a 2.00E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321305
PNG
(US10179791, Compound 79)
Show SMILES OC(=O)CCN1CCC2(COc3cc(OC4CCc5cc(Cl)cc(Cl)c45)ccc23)CC1
Show InChI InChI=1S/C24H25Cl2NO4/c25-16-11-15-1-4-20(23(15)19(26)12-16)31-17-2-3-18-21(13-17)30-14-24(18)6-9-27(10-7-24)8-5-22(28)29/h2-3,11-13,20H,1,4-10,14H2,(H,28,29)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321306
PNG
(US10179791, Compound 100)
Show SMILES CC(CN1CCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc23)CC1)C(O)=O
Show InChI InChI=1S/C23H25Cl2NO4/c1-15(22(27)28)12-26-9-7-23(8-10-26)14-30-21-11-16(5-6-18(21)23)29-13-17-19(24)3-2-4-20(17)25/h2-6,11,15H,7-10,12-14H2,1H3,(H,27,28)
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n/an/an/an/a 100n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321306
PNG
(US10179791, Compound 100)
Show SMILES CC(CN1CCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc23)CC1)C(O)=O
Show InChI InChI=1S/C23H25Cl2NO4/c1-15(22(27)28)12-26-9-7-23(8-10-26)14-30-21-11-16(5-6-18(21)23)29-13-17-19(24)3-2-4-20(17)25/h2-6,11,15H,7-10,12-14H2,1H3,(H,27,28)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321306
PNG
(US10179791, Compound 100)
Show SMILES CC(CN1CCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc23)CC1)C(O)=O
Show InChI InChI=1S/C23H25Cl2NO4/c1-15(22(27)28)12-26-9-7-23(8-10-26)14-30-21-11-16(5-6-18(21)23)29-13-17-19(24)3-2-4-20(17)25/h2-6,11,15H,7-10,12-14H2,1H3,(H,27,28)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321307
PNG
(US10179791, Compound 102)
Show SMILES CC(CN1CCC2(COc3cc(OCc4c(Cl)cc(Cl)cc4Cl)ccc23)CC1)C(O)=O
Show InChI InChI=1S/C23H24Cl3NO4/c1-14(22(28)29)11-27-6-4-23(5-7-27)13-31-21-10-16(2-3-18(21)23)30-12-17-19(25)8-15(24)9-20(17)26/h2-3,8-10,14H,4-7,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 15.8n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321307
PNG
(US10179791, Compound 102)
Show SMILES CC(CN1CCC2(COc3cc(OCc4c(Cl)cc(Cl)cc4Cl)ccc23)CC1)C(O)=O
Show InChI InChI=1S/C23H24Cl3NO4/c1-14(22(28)29)11-27-6-4-23(5-7-27)13-31-21-10-16(2-3-18(21)23)30-12-17-19(25)8-15(24)9-20(17)26/h2-3,8-10,14H,4-7,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 631n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone a...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321308
PNG
(US10179791, Compound 110)
Show SMILES OC(=O)CN1CCC2(COc3cc(OCc4c(Cl)cc(Cl)cc4Cl)ccc23)CC1
Show InChI InChI=1S/C21H20Cl3NO4/c22-13-7-17(23)15(18(24)8-13)11-28-14-1-2-16-19(9-14)29-12-21(16)3-5-25(6-4-21)10-20(26)27/h1-2,7-9H,3-6,10-12H2,(H,26,27)
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n/an/an/an/a 15.8n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321308
PNG
(US10179791, Compound 110)
Show SMILES OC(=O)CN1CCC2(COc3cc(OCc4c(Cl)cc(Cl)cc4Cl)ccc23)CC1
Show InChI InChI=1S/C21H20Cl3NO4/c22-13-7-17(23)15(18(24)8-13)11-28-14-1-2-16-19(9-14)29-12-21(16)3-5-25(6-4-21)10-20(26)27/h1-2,7-9H,3-6,10-12H2,(H,26,27)
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n/an/an/an/a<1.00E+4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone a...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321308
PNG
(US10179791, Compound 110)
Show SMILES OC(=O)CN1CCC2(COc3cc(OCc4c(Cl)cc(Cl)cc4Cl)ccc23)CC1
Show InChI InChI=1S/C21H20Cl3NO4/c22-13-7-17(23)15(18(24)8-13)11-28-14-1-2-16-19(9-14)29-12-21(16)3-5-25(6-4-21)10-20(26)27/h1-2,7-9H,3-6,10-12H2,(H,26,27)
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n/an/an/an/a 2.00E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321309
PNG
(US10179791, Compound 111)
Show SMILES CCc1cccc(Cl)c1COc1ccc2c(OCC22CCN(CC(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClNO4/c1-2-16-4-3-5-20(24)18(16)14-28-17-6-7-19-21(12-17)29-15-23(19)8-10-25(11-9-23)13-22(26)27/h3-7,12H,2,8-11,13-15H2,1H3,(H,26,27)
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n/an/an/an/a 25.1n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321309
PNG
(US10179791, Compound 111)
Show SMILES CCc1cccc(Cl)c1COc1ccc2c(OCC22CCN(CC(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClNO4/c1-2-16-4-3-5-20(24)18(16)14-28-17-6-7-19-21(12-17)29-15-23(19)8-10-25(11-9-23)13-22(26)27/h3-7,12H,2,8-11,13-15H2,1H3,(H,26,27)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone a...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321309
PNG
(US10179791, Compound 111)
Show SMILES CCc1cccc(Cl)c1COc1ccc2c(OCC22CCN(CC(O)=O)CC2)c1
Show InChI InChI=1S/C23H26ClNO4/c1-2-16-4-3-5-20(24)18(16)14-28-17-6-7-19-21(12-17)29-15-23(19)8-10-25(11-9-23)13-22(26)27/h3-7,12H,2,8-11,13-15H2,1H3,(H,26,27)
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n/an/an/an/a 2.00E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321310
PNG
(US10179791, Compound 121)
Show SMILES OC(=O)CCCN1CCC2(COc3cc(OCc4c(Cl)cccc4C4CC4)ccc23)CC1
Show InChI InChI=1S/C26H30ClNO4/c27-23-4-1-3-20(18-6-7-18)21(23)16-31-19-8-9-22-24(15-19)32-17-26(22)10-13-28(14-11-26)12-2-5-25(29)30/h1,3-4,8-9,15,18H,2,5-7,10-14,16-17H2,(H,29,30)
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n/an/an/an/a 79.4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321310
PNG
(US10179791, Compound 121)
Show SMILES OC(=O)CCCN1CCC2(COc3cc(OCc4c(Cl)cccc4C4CC4)ccc23)CC1
Show InChI InChI=1S/C26H30ClNO4/c27-23-4-1-3-20(18-6-7-18)21(23)16-31-19-8-9-22-24(15-19)32-17-26(22)10-13-28(14-11-26)12-2-5-25(29)30/h1,3-4,8-9,15,18H,2,5-7,10-14,16-17H2,(H,29,30)
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n/an/an/an/a 5.01E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone a...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321310
PNG
(US10179791, Compound 121)
Show SMILES OC(=O)CCCN1CCC2(COc3cc(OCc4c(Cl)cccc4C4CC4)ccc23)CC1
Show InChI InChI=1S/C26H30ClNO4/c27-23-4-1-3-20(18-6-7-18)21(23)16-31-19-8-9-22-24(15-19)32-17-26(22)10-13-28(14-11-26)12-2-5-25(29)30/h1,3-4,8-9,15,18H,2,5-7,10-14,16-17H2,(H,29,30)
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AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321311
PNG
(US10179791, Compound 127)
Show SMILES CC(C)c1cccc(Cl)c1COc1ccc2c(OCC22CCN(CCCC(O)=O)CC2)c1
Show InChI InChI=1S/C26H32ClNO4/c1-18(2)20-5-3-6-23(27)21(20)16-31-19-8-9-22-24(15-19)32-17-26(22)10-13-28(14-11-26)12-4-7-25(29)30/h3,5-6,8-9,15,18H,4,7,10-14,16-17H2,1-2H3,(H,29,30)
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n/an/an/an/a 126n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321311
PNG
(US10179791, Compound 127)
Show SMILES CC(C)c1cccc(Cl)c1COc1ccc2c(OCC22CCN(CCCC(O)=O)CC2)c1
Show InChI InChI=1S/C26H32ClNO4/c1-18(2)20-5-3-6-23(27)21(20)16-31-19-8-9-22-24(15-19)32-17-26(22)10-13-28(14-11-26)12-4-7-25(29)30/h3,5-6,8-9,15,18H,4,7,10-14,16-17H2,1-2H3,(H,29,30)
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UniChem
US Patent
n/an/an/an/a 7.94E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-human-S1P1-Aeqorin assay was bought from Euroscreen Fast, Brussels (Euroscreen, Technical dossier, Human S1P1 (Edg1) receptor, DNA clone a...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321311
PNG
(US10179791, Compound 127)
Show SMILES CC(C)c1cccc(Cl)c1COc1ccc2c(OCC22CCN(CCCC(O)=O)CC2)c1
Show InChI InChI=1S/C26H32ClNO4/c1-18(2)20-5-3-6-23(27)21(20)16-31-19-8-9-22-24(15-19)32-17-26(22)10-13-28(14-11-26)12-4-7-25(29)30/h3,5-6,8-9,15,18H,4,7,10-14,16-17H2,1-2H3,(H,29,30)
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US Patent
n/an/an/an/a 2.51E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321312
PNG
(US10179791, Compound 128)
Show SMILES OC(=O)CCCN1CCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc23)CC1
Show InChI InChI=1S/C23H25Cl2NO4/c24-19-3-1-4-20(25)17(19)14-29-16-6-7-18-21(13-16)30-15-23(18)8-11-26(12-9-23)10-2-5-22(27)28/h1,3-4,6-7,13H,2,5,8-12,14-15H2,(H,27,28)
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US Patent
n/an/an/an/a 25.1n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321312
PNG
(US10179791, Compound 128)
Show SMILES OC(=O)CCCN1CCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc23)CC1
Show InChI InChI=1S/C23H25Cl2NO4/c24-19-3-1-4-20(25)17(19)14-29-16-6-7-18-21(13-16)30-15-23(18)8-11-26(12-9-23)10-2-5-22(27)28/h1,3-4,6-7,13H,2,5,8-12,14-15H2,(H,27,28)
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US Patent
n/an/an/an/a<3.16E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321312
PNG
(US10179791, Compound 128)
Show SMILES OC(=O)CCCN1CCC2(COc3cc(OCc4c(Cl)cccc4Cl)ccc23)CC1
Show InChI InChI=1S/C23H25Cl2NO4/c24-19-3-1-4-20(25)17(19)14-29-16-6-7-18-21(13-16)30-15-23(18)8-11-26(12-9-23)10-2-5-22(27)28/h1,3-4,6-7,13H,2,5,8-12,14-15H2,(H,27,28)
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US Patent
n/an/an/an/a<1.00E+4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321313
PNG
(US10179791, Compound 129)
Show SMILES Cc1c2OCC3(CCN(CCC(O)=O)CC3)c2ccc1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H25Cl2NO4/c1-15-20(29-13-16-18(24)3-2-4-19(16)25)6-5-17-22(15)30-14-23(17)8-11-26(12-9-23)10-7-21(27)28/h2-6H,7-14H2,1H3,(H,27,28)
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US Patent
n/an/an/an/a 31.6n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM321313
PNG
(US10179791, Compound 129)
Show SMILES Cc1c2OCC3(CCN(CCC(O)=O)CC3)c2ccc1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H25Cl2NO4/c1-15-20(29-13-16-18(24)3-2-4-19(16)25)6-5-17-22(15)30-14-23(17)8-11-26(12-9-23)10-7-21(27)28/h2-6H,7-14H2,1H3,(H,27,28)
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US Patent
n/an/an/an/a<3.16E+3n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-K1-Human S1P1-c-AMP assay was performed at Euroscreenfast, Brussels (Euroscreen, Human S1P1 coupling Gi/0, (Edg1) receptor, catalog no: FAST-...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM321313
PNG
(US10179791, Compound 129)
Show SMILES Cc1c2OCC3(CCN(CCC(O)=O)CC3)c2ccc1OCc1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H25Cl2NO4/c1-15-20(29-13-16-18(24)3-2-4-19(16)25)6-5-17-22(15)30-14-23(17)8-11-26(12-9-23)10-7-21(27)28/h2-6H,7-14H2,1H3,(H,27,28)
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US Patent
n/an/an/an/a<1.00E+4n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P3-Aeqorin assay (CHO/Gα16/AEQ/h-S1P3) was established at Solvay Pharmaceuticals. The plasmid DNA coding for the S1P3 receptor (...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 5


(Homo sapiens (human))
BDBM321314
PNG
(US10179791, Compound 132)
Show SMILES OC(=O)CCN1CCC2(COc3c2ccc(OCc2c(Cl)cc(Cl)cc2Cl)c3F)CC1
Show InChI InChI=1S/C22H21Cl3FNO4/c23-13-9-16(24)14(17(25)10-13)11-30-18-2-1-15-21(20(18)26)31-12-22(15)4-7-27(8-5-22)6-3-19(28)29/h1-2,9-10H,3-8,11-12H2,(H,28,29)
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US Patent
n/an/an/an/a 5.01n/an/an/an/a



AbbVie B.V.; AbbVie, Inc.

US Patent


Assay Description
The CHO-human-S1P5-Aeqorin assay was bought from Euroscreen, Brussels (Euroscreen, Technical dossier, Human Lysophospholid S1P5 (Edg8) receptor, DNA ...


US Patent US10179791 (2019)

More data for this
Ligand-Target Pair
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