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Patent code US9896452

Compile Data Set for Download or QSAR

Found 703 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
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373466
PNG
((5-Fluoro-2-(pyrimidin-2-yl)phenyl)((2S,3R)-3-meth...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1cc(F)ccc1-c1ncccn1
Show InChI InChI=1S/C24H23F4N5O/c1-15-4-2-11-33(20(15)14-32-21-8-5-16(13-31-21)24(26,27)28)23(34)19-12-17(25)6-7-18(19)22-29-9-3-10-30-22/h3,5-10,12-13,15,20H,2,4,11,14H2,1H3,(H,31,32)/t15-,20-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373342
PNG
(((2S,3R)-2-(((5-Chloro-3-fluoropyridin-2-yl)amino)...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(Cl)cc1F)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H24ClFN6O/c1-14-5-6-19(30-27-7-8-28-30)17(10-14)22(31)29-9-3-4-15(2)20(29)13-26-21-18(24)11-16(23)12-25-21/h5-8,10-12,15,20H,3-4,9,13H2,1-2H3,(H,25,26)/t15-,20-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373137
PNG
(US9896452, Example 2 | rac-N-((5-fluoro-1-(2-methy...)
Show SMILES Cc1nc(C(=O)N2CC(F)CCC2CNC(=O)c2cccc3occc23)c(s1)-c1ccccc1
Show InChI InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-6-3-2-4-7-17)26(32)30-15-18(27)10-11-19(30)14-28-25(31)21-8-5-9-22-20(21)12-13-33-22/h2-9,12-13,18-19H,10-11,14-15H2,1H3,(H,28,31)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373342
PNG
(((2S,3R)-2-(((5-Chloro-3-fluoropyridin-2-yl)amino)...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(Cl)cc1F)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H24ClFN6O/c1-14-5-6-19(30-27-7-8-28-30)17(10-14)22(31)29-9-3-4-15(2)20(29)13-26-21-18(24)11-16(23)12-25-21/h5-8,10-12,15,20H,3-4,9,13H2,1-2H3,(H,25,26)/t15-,20-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373200
PNG
(US9896452, Example 60 | rac-3-Fluoro-N-((1-(5-(4-f...)
Show SMILES COc1c(F)cccc1C(=O)NCC1CCCC(C)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H27F2N3O3S/c1-15-6-4-7-19(14-29-25(32)20-8-5-9-21(28)23(20)34-3)31(15)26(33)22-24(35-16(2)30-22)17-10-12-18(27)13-11-17/h5,8-13,15,19H,4,6-7,14H2,1-3H3,(H,29,32)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373177
PNG
(US9896452, Example 37 | rac-N-(((5S)-1-(biphenylca...)
Show SMILES F[C@H]1CCC(CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C29H26FN3O2/c30-22-15-16-23(18-32-28(34)26-14-6-10-21-11-7-17-31-27(21)26)33(19-22)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23H,15-16,18-19H2,(H,32,34)/t22-,23?/m0/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM50384423
PNG
(CHEMBL2031485 | US9896452, Example 62)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1S/C27H27N3O3S/c1-17-8-7-14-30(27(32)24-25(34-18(2)29-24)19-9-4-3-5-10-19)22(17)16-28-26(31)21-11-6-12-23-20(21)13-15-33-23/h3-6,9-13,15,17,22H,7-8,14,16H2,1-2H3,(H,28,31)/t17-,22-/m1/s1
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Similars
US Patent
n/an/a 1n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373218
PNG
(US9896452, Example 79 | rac-((2S,3R)-3-methyl-2-((...)
Show SMILES C[C@@H]1CCCN([C@@H]1COc1ccc(cn1)C(F)(F)F)C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H23F4N3O2S/c1-14-4-3-11-31(19(14)13-33-20-10-7-17(12-29-20)24(26,27)28)23(32)21-22(34-15(2)30-21)16-5-8-18(25)9-6-16/h5-10,12,14,19H,3-4,11,13H2,1-2H3/t14-,19-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373402
PNG
((5-Chloro-2-(2H-1,2,3-triazol-2-yl)phenyl)((2S,3R)...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cn1)C(F)(F)F)C(=O)c1cc(Cl)ccc1-n1nccn1
Show InChI InChI=1S/C21H21ClF3N7O/c1-13-3-2-8-31(18(13)12-28-20-26-10-14(11-27-20)21(23,24)25)19(33)16-9-15(22)4-5-17(16)32-29-6-7-30-32/h4-7,9-11,13,18H,2-3,8,12H2,1H3,(H,26,27,28)/t13-,18-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373198
PNG
(US9896452, Example 58 | rac-N-((1-(5-(4-fluorophen...)
Show SMILES CC1CCCC(CNC(=O)c2cccc3occc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3O3S/c1-16-5-3-6-20(15-29-26(32)22-7-4-8-23-21(22)13-14-34-23)31(16)27(33)24-25(35-17(2)30-24)18-9-11-19(28)12-10-18/h4,7-14,16,20H,3,5-6,15H2,1-2H3,(H,29,32)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373241
PNG
(US9896452, Example 104 | rac-((2S,3R)-3-methyl-2-(...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1cc(C)ccc1-c1cccnc1
Show InChI InChI=1S/C26H27F3N4O/c1-17-7-9-21(19-6-3-11-30-14-19)22(13-17)25(34)33-12-4-5-18(2)23(33)16-32-24-10-8-20(15-31-24)26(27,28)29/h3,6-11,13-15,18,23H,4-5,12,16H2,1-2H3,(H,31,32)/t18-,23-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373136
PNG
(US9896452, Example 1 | rac-N-((5-fluoro-1-(2-methy...)
Show SMILES Cc1nc(C(=O)N2CC(F)CCC2CNC(=O)c2cccc3cccnc23)c(s1)-c1ccccc1
Show InChI InChI=1S/C27H25FN4O2S/c1-17-31-24(25(35-17)19-7-3-2-4-8-19)27(34)32-16-20(28)12-13-21(32)15-30-26(33)22-11-5-9-18-10-6-14-29-23(18)22/h2-11,14,20-21H,12-13,15-16H2,1H3,(H,30,33)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373415
PNG
(((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyridin-...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H24F3N7O/c1-14-4-3-11-31(18(14)13-27-19-8-6-16(12-26-19)22(23,24)25)21(33)20-17(7-5-15(2)30-20)32-28-9-10-29-32/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H,26,27)/t14-,18-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373416
PNG
(((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyrimidi...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cn1)C(F)(F)F)C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C21H23F3N8O/c1-13-4-3-9-31(17(13)12-27-20-25-10-15(11-26-20)21(22,23)24)19(33)18-16(6-5-14(2)30-18)32-28-7-8-29-32/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3,(H,25,26,27)/t13-,17-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373429
PNG
(((2S,3R)-2-(((3-Fluoro-5-(trifluoromethyl)pyridin-...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cc1F)C(F)(F)F)C(=O)c1nc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H23F4N7O/c1-13-4-3-9-32(18(13)12-28-20-16(23)10-15(11-27-20)22(24,25)26)21(34)19-17(6-5-14(2)31-19)33-29-7-8-30-33/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,27,28)/t13-,18-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373153
PNG
(US9896452, Example 15 | rac-((2S,3R)-2-(((5-bromop...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(Br)cn1)C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23BrFN5OS/c1-13-4-3-9-29(18(13)12-27-22-25-10-16(23)11-26-22)21(30)19-20(31-14(2)28-19)15-5-7-17(24)8-6-15/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,25,26,27)/t13-,18-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373192
PNG
(US9896452, Example 52 | rac-N-((5,5-difluoro-1-(5-...)
Show SMILES Cc1nc(C(=O)N2CC(F)(F)CCC2CNC(=O)c2cccc3cccnc23)c(s1)-c1cccc(F)c1
Show InChI InChI=1S/C27H23F3N4O2S/c1-16-33-23(24(37-16)18-6-2-8-19(28)13-18)26(36)34-15-27(29,30)11-10-20(34)14-32-25(35)21-9-3-5-17-7-4-12-31-22(17)21/h2-9,12-13,20H,10-11,14-15H2,1H3,(H,32,35)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373507
PNG
(((2S,3R)-3-methyl-2-(((5-(trifluoromethyl)pyrimidi...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cn1)C(F)(F)F)C(=O)c1ccccc1-c1ncccn1
Show InChI InChI=1S/C23H23F3N6O/c1-15-6-4-11-32(19(15)14-31-22-29-12-16(13-30-22)23(24,25)26)21(33)18-8-3-2-7-17(18)20-27-9-5-10-28-20/h2-3,5,7-10,12-13,15,19H,4,6,11,14H2,1H3,(H,29,30,31)/t15-,19-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373352
PNG
(((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyridin-...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1cc(C)ccc1-n1ccc(C)n1
Show InChI InChI=1S/C25H28F3N5O/c1-16-6-8-21(33-12-10-18(3)31-33)20(13-16)24(34)32-11-4-5-17(2)22(32)15-30-23-9-7-19(14-29-23)25(26,27)28/h6-10,12-14,17,22H,4-5,11,15H2,1-3H3,(H,29,30)/t17-,22-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373138
PNG
(US9896452, Example 3 | rac-(5-Fluoro-2-((5-(triflu...)
Show SMILES Cc1nc(C(=O)N2CC(F)CCC2CNc2ccc(cn2)C(F)(F)F)c(s1)-c1ccccc1
Show InChI InChI=1S/C23H22F4N4OS/c1-14-30-20(21(33-14)15-5-3-2-4-6-15)22(32)31-13-17(24)8-9-18(31)12-29-19-10-7-16(11-28-19)23(25,26)27/h2-7,10-11,17-18H,8-9,12-13H2,1H3,(H,28,29)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373176
PNG
(US9896452, Example 36 | rac-N-((1-(biphenylcarbony...)
Show SMILES FC1(F)CCC(CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C29H25F2N3O2/c30-29(31)16-15-22(18-33-27(35)25-14-6-10-21-11-7-17-32-26(21)25)34(19-29)28(36)24-13-5-4-12-23(24)20-8-2-1-3-9-20/h1-14,17,22H,15-16,18-19H2,(H,33,35)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373356
PNG
(((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyridin-...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1cc(C)ccc1-n1ncc(C)n1
Show InChI InChI=1S/C24H27F3N6O/c1-15-6-8-20(33-30-12-17(3)31-33)19(11-15)23(34)32-10-4-5-16(2)21(32)14-29-22-9-7-18(13-28-22)24(25,26)27/h6-9,11-13,16,21H,4-5,10,14H2,1-3H3,(H,28,29)/t16-,21-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373277
PNG
(US9896452, Example 141 | rac-N-(((1s,4s)-2-(2-meth...)
Show SMILES Cc1nc(C(=O)N2C3CCC(CC3)C2CNC(=O)c2cccc3cccnc23)c(s1)-c1ccccc1
Show InChI InChI=1S/C29H28N4O2S/c1-18-32-26(27(36-18)21-7-3-2-4-8-21)29(35)33-22-14-12-19(13-15-22)24(33)17-31-28(34)23-11-5-9-20-10-6-16-30-25(20)23/h2-11,16,19,22,24H,12-15,17H2,1H3,(H,31,34)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373465
PNG
((5-Fluoro-2-(pyrimidin-2-yl)phenyl)((2S,3R)-3-meth...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cn1)C(F)(F)F)C(=O)c1cc(F)ccc1-c1ncccn1
Show InChI InChI=1S/C23H22F4N6O/c1-14-4-2-9-33(19(14)13-32-22-30-11-15(12-31-22)23(25,26)27)21(34)18-10-16(24)5-6-17(18)20-28-7-3-8-29-20/h3,5-8,10-12,14,19H,2,4,9,13H2,1H3,(H,30,31,32)/t14-,19-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373147
PNG
(US9896452, Ex. A85 | US9896452, Example 11 | rac-(...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H24F4N4OS/c1-14-4-3-11-32(19(14)13-30-20-10-7-17(12-29-20)24(26,27)28)23(33)21-22(34-15(2)31-21)16-5-8-18(25)9-6-16/h5-10,12,14,19H,3-4,11,13H2,1-2H3,(H,29,30)/t14-,19-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373217
PNG
(US9896452, Example 78 | rac-((2S,3R)-3-ethyl-2-(((...)
Show SMILES CC[C@@H]1CCCN([C@@H]1CNc1ncc(CC)cn1)C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C25H30FN5OS/c1-4-17-13-27-25(28-14-17)29-15-21-18(5-2)7-6-12-31(21)24(32)22-23(33-16(3)30-22)19-8-10-20(26)11-9-19/h8-11,13-14,18,21H,4-7,12,15H2,1-3H3,(H,27,28,29)/t18-,21-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373257
PNG
(US9896452, Ex. A314 | US9896452, Example 120 | rac...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H23F3N6O/c1-15-5-4-12-30(19(15)14-27-20-9-8-16(13-26-20)22(23,24)25)21(32)17-6-2-3-7-18(17)31-28-10-11-29-31/h2-3,6-11,13,15,19H,4-5,12,14H2,1H3,(H,26,27)/t15-,19-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373172
PNG
(US9896452, Example 32 | rac-N-((1-(biphenylcarbony...)
Show SMILES OC1CCC(CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C29H27N3O3/c33-23-16-15-22(18-31-28(34)26-14-6-10-21-11-7-17-30-27(21)26)32(19-23)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23,33H,15-16,18-19H2,(H,31,34)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373175
PNG
(US9896452, Example 35 | rac-N-((5-fluoro-1-(2-meth...)
Show SMILES Cc1nc(c(s1)C(=O)N1CC(F)CCC1CNC(=O)c1cccc2cccnc12)-c1ccccc1
Show InChI InChI=1S/C27H25FN4O2S/c1-17-31-24(19-7-3-2-4-8-19)25(35-17)27(34)32-16-20(28)12-13-21(32)15-30-26(33)22-11-5-9-18-10-6-14-29-23(18)22/h2-11,14,20-21H,12-13,15-16H2,1H3,(H,30,33)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373203
PNG
(US9896452, Example 63 | rac-N-(((2S,3R)-1-(5-(4-fl...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C27H26FN3O3S/c1-16-5-4-13-31(22(16)15-29-26(32)21-6-3-7-23-20(21)12-14-34-23)27(33)24-25(35-17(2)30-24)18-8-10-19(28)11-9-18/h3,6-12,14,16,22H,4-5,13,15H2,1-2H3,(H,29,32)/t16-,22-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373240
PNG
(US9896452, Ex. A1 | US9896452, Example 103 | rac-(...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1cc(C)ccc1-c1cnn(C)c1
Show InChI InChI=1S/C25H28F3N5O/c1-16-6-8-20(18-12-31-32(3)15-18)21(11-16)24(34)33-10-4-5-17(2)22(33)14-30-23-9-7-19(13-29-23)25(26,27)28/h6-9,11-13,15,17,22H,4-5,10,14H2,1-3H3,(H,29,30)/t17-,22-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM373176
PNG
(US9896452, Example 36 | rac-N-((1-(biphenylcarbony...)
Show SMILES FC1(F)CCC(CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C29H25F2N3O2/c30-29(31)16-15-22(18-33-27(35)25-14-6-10-21-11-7-17-32-26(21)25)34(19-29)28(36)24-13-5-4-12-23(24)20-8-2-1-3-9-20/h1-14,17,22H,15-16,18-19H2,(H,33,35)
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373257
PNG
(US9896452, Ex. A314 | US9896452, Example 120 | rac...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H23F3N6O/c1-15-5-4-12-30(19(15)14-27-20-9-8-16(13-26-20)22(23,24)25)21(32)17-6-2-3-7-18(17)31-28-10-11-29-31/h2-3,6-11,13,15,19H,4-5,12,14H2,1H3,(H,26,27)/t15-,19-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373287
PNG
(((2S,3R)-2-(((5-Chlorobenzo[d]oxazol-2-yl)amino)me...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1nc2cc(Cl)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H25ClN6O2/c1-15-5-7-20(31-27-9-10-28-31)18(12-15)23(32)30-11-3-4-16(2)21(30)14-26-24-29-19-13-17(25)6-8-22(19)33-24/h5-10,12-13,16,21H,3-4,11,14H2,1-2H3,(H,26,29)/t16-,21-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM50384428
PNG
(CHEMBL2031491 | US9896452, Example 8)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31-25)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,23-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM50384427
PNG
(CHEMBL2031490 | US9896452, Example 139)
Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3occc23)C(F)(F)F)c(s1)-c1ccccc1
Show InChI InChI=1S/C27H24F3N3O3S/c1-16-32-23(24(37-16)17-7-3-2-4-8-17)26(35)33-13-6-10-20(27(28,29)30)21(33)15-31-25(34)19-9-5-11-22-18(19)12-14-36-22/h2-5,7-9,11-12,14,20-21H,6,10,13,15H2,1H3,(H,31,34)/t20-,21-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373289
PNG
(((2S,3R)-2-(((5-Chlorobenzo[d]oxazol-2-yl)amino)me...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1nc2cc(Cl)ccc2o1)C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C25H24ClFN4O2S/c1-14-4-3-11-31(20(14)13-28-25-30-19-12-17(26)7-10-21(19)33-25)24(32)22-23(34-15(2)29-22)16-5-8-18(27)9-6-16/h5-10,12,14,20H,3-4,11,13H2,1-2H3,(H,28,30)/t14-,20-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373349
PNG
(((2S,3R)-3-Methyl-2-(((5-(trifluoromethyl)pyridin-...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1cc(C)ccc1-c1cccc(C)n1
Show InChI InChI=1S/C27H29F3N4O/c1-17-9-11-21(23-8-4-7-19(3)33-23)22(14-17)26(35)34-13-5-6-18(2)24(34)16-32-25-12-10-20(15-31-25)27(28,29)30/h4,7-12,14-15,18,24H,5-6,13,16H2,1-3H3,(H,31,32)/t18-,24-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373444
PNG
(((2S,3R)-2-((Benzo[d]oxazol-2-ylamino)methyl)-3-me...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1nc2ccccc2o1)C(=O)c1cc(C)ccc1-c1ncccn1
Show InChI InChI=1S/C26H27N5O2/c1-17-10-11-19(24-27-12-6-13-28-24)20(15-17)25(32)31-14-5-7-18(2)22(31)16-29-26-30-21-8-3-4-9-23(21)33-26/h3-4,6,8-13,15,18,22H,5,7,14,16H2,1-2H3,(H,29,30)/t18-,22-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373251
PNG
(US9896452, Ex. A106 | US9896452, Example 114 | rac...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C23H25F3N6O/c1-15-5-7-19(32-29-9-10-30-32)18(12-15)22(33)31-11-3-4-16(2)20(31)14-28-21-8-6-17(13-27-21)23(24,25)26/h5-10,12-13,16,20H,3-4,11,14H2,1-2H3,(H,27,28)/t16-,20-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373289
PNG
(((2S,3R)-2-(((5-Chlorobenzo[d]oxazol-2-yl)amino)me...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1nc2cc(Cl)ccc2o1)C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C25H24ClFN4O2S/c1-14-4-3-11-31(20(14)13-28-25-30-19-12-17(26)7-10-21(19)33-25)24(32)22-23(34-15(2)29-22)16-5-8-18(27)9-6-16/h5-10,12,14,20H,3-4,11,13H2,1-2H3,(H,28,30)/t14-,20-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373370
PNG
(((2S,3R)-2-(((5-Fluorobenzo[d]oxazol-2-yl)amino)me...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1nc2cc(F)ccc2o1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H25FN6O2/c1-15-5-7-20(31-27-9-10-28-31)18(12-15)23(32)30-11-3-4-16(2)21(30)14-26-24-29-19-13-17(25)6-8-22(19)33-24/h5-10,12-13,16,21H,3-4,11,14H2,1-2H3,(H,26,29)/t16-,21-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373473
PNG
((2-Fluoro-6-(pyrimidin-2-yl)phenyl)((2S,3R)-3-meth...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cn1)C(F)(F)F)C(=O)c1c(F)cccc1-c1ncccn1
Show InChI InChI=1S/C23H22F4N6O/c1-14-5-3-10-33(18(14)13-32-22-30-11-15(12-31-22)23(25,26)27)21(34)19-16(6-2-7-17(19)24)20-28-8-4-9-29-20/h2,4,6-9,11-12,14,18H,3,5,10,13H2,1H3,(H,30,31,32)/t14-,18-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373494
PNG
(((2S,3R)-2-(((5-chloropyrimidin-2-yl)amino)methyl)...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(Cl)cn1)C(=O)c1cccc(C)c1-n1nccn1
Show InChI InChI=1S/C21H24ClN7O/c1-14-6-4-10-28(18(14)13-25-21-23-11-16(22)12-24-21)20(30)17-7-3-5-15(2)19(17)29-26-8-9-27-29/h3,5,7-9,11-12,14,18H,4,6,10,13H2,1-2H3,(H,23,24,25)/t14-,18-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM373177
PNG
(US9896452, Example 37 | rac-N-(((5S)-1-(biphenylca...)
Show SMILES F[C@H]1CCC(CNC(=O)c2cccc3cccnc23)N(C1)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C29H26FN3O2/c30-22-15-16-23(18-32-28(34)26-14-6-10-21-11-7-17-31-27(21)26)33(19-22)29(35)25-13-5-4-12-24(25)20-8-2-1-3-9-20/h1-14,17,22-23H,15-16,18-19H2,(H,32,34)/t22-,23?/m0/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM50384429
PNG
(CHEMBL2031492 | US9896452, Example 137)
Show SMILES C[C@H]1CCCN([C@@H]1CNC(=O)c1cccc2cccnc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1S/C28H28N4O2S/c1-18-9-8-16-32(28(34)25-26(35-19(2)31-25)21-10-4-3-5-11-21)23(18)17-30-27(33)22-14-6-12-20-13-7-15-29-24(20)22/h3-7,10-15,18,23H,8-9,16-17H2,1-2H3,(H,30,33)/t18-,23+/m0/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373234
PNG
(US9896452, Ex. A149 | US9896452, Example 97 | rac-...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cn1)C(F)(F)F)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H24F3N7O/c1-14-5-6-18(32-29-7-8-30-32)17(10-14)20(33)31-9-3-4-15(2)19(31)13-28-21-26-11-16(12-27-21)22(23,24)25/h5-8,10-12,15,19H,3-4,9,13H2,1-2H3,(H,26,27,28)/t15-,19-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373499
PNG
(((2S,3R)-3-methyl-2-(((5-(trifluoromethyl)pyrimidi...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cn1)C(F)(F)F)C(=O)c1cccc(C)c1-c1ncccn1
Show InChI InChI=1S/C24H25F3N6O/c1-15-7-4-11-33(19(15)14-32-23-30-12-17(13-31-23)24(25,26)27)22(34)18-8-3-6-16(2)20(18)21-28-9-5-10-29-21/h3,5-6,8-10,12-13,15,19H,4,7,11,14H2,1-2H3,(H,30,31,32)/t15-,19-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373501
PNG
(((2S,3R)-2-(((5-chloropyrimidin-2-yl)amino)methyl)...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ccc(cn1)C(F)(F)F)C(=O)c1cc(F)ccc1-n1nccn1
Show InChI InChI=1S/C22H22F4N6O/c1-14-3-2-10-31(19(14)13-28-20-7-4-15(12-27-20)22(24,25)26)21(33)17-11-16(23)5-6-18(17)32-29-8-9-30-32/h4-9,11-12,14,19H,2-3,10,13H2,1H3,(H,27,28)/t14-,19-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))		BDBM373133
PNG
(US9896452, Example 75 | rac-((2S,3R)-3-methyl-2-((...)
Show SMILES C[C@@H]1CCCN([C@@H]1CNc1ncc(cn1)C(F)(F)F)C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H23F4N5OS/c1-13-4-3-9-32(18(13)12-30-22-28-10-16(11-29-22)23(25,26)27)21(33)19-20(34-14(2)31-19)15-5-7-17(24)8-6-15/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,28,29,30)/t13-,18-/m1/s1
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EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...

US Patent US9896452 (2018)


BindingDB Entry DOI: 10.7270/Q22J6F5N
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 703 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%