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Patent code US8653263

Compile Data Set for Download or QSAR

Found 733 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 2


(Homo sapiens (Human))		BDBM118664
PNG
(US11059828, Example 317 | US11667644, Example 317 ...)
Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H21ClFN7O/c1-12-19(22)13(2)27-21(26-12)29-10-14-8-28(9-15(14)11-29)20(31)18-16(23)4-3-5-17(18)30-24-6-7-25-30/h3-7,14-15H,8-11H2,1-2H3
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 3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118667
PNG
(US11059828, Example 320 | US11667644, Example 320 ...)
Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1ncn(C)n1
Show InChI InChI=1S/C22H24ClN7O/c1-13-19(23)14(2)26-22(25-13)30-10-15-8-29(9-16(15)11-30)21(31)18-7-5-4-6-17(18)20-24-12-28(3)27-20/h4-7,12,15-16H,8-11H2,1-3H3
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 4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118641
PNG
(US11059828, Example 294 | US11667644, Example 294 ...)
Show SMILES Cc1nc(nc(C)c1C)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C22H24FN7O/c1-13-14(2)26-22(27-15(13)3)29-11-16-9-28(10-17(16)12-29)21(31)20-18(23)5-4-6-19(20)30-24-7-8-25-30/h4-8,16-17H,9-12H2,1-3H3
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 4n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118665
PNG
(US11059828, Example 318 | US11667644, Example 318 ...)
Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1nc(C)c(Cl)c(C)n1
Show InChI InChI=1S/C22H23ClN6O2/c1-12-19(23)13(2)25-22(24-12)29-10-15-8-28(9-16(15)11-29)21(30)18-7-5-4-6-17(18)20-26-14(3)27-31-20/h4-7,15-16H,8-11H2,1-3H3
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 5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118644
PNG
(US11059828, Example 297 | US11667644, Example 297 ...)
Show SMILES CCc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C22H24FN7O/c1-3-17-9-14(2)26-22(27-17)29-12-15-10-28(11-16(15)13-29)21(31)20-18(23)5-4-6-19(20)30-24-7-8-25-30/h4-9,15-16H,3,10-13H2,1-2H3
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 6n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118420
PNG
(US11059828, Example 73 | US11667644, Example 73 | ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-c1ncccn1
Show InChI InChI=1S/C23H23FN6O/c1-14-9-15(2)28-23(27-14)30-12-16-10-29(11-17(16)13-30)22(31)20-18(5-3-6-19(20)24)21-25-7-4-8-26-21/h3-9,16-17H,10-13H2,1-2H3
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 7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118586
PNG
(US11059828, Example 239 | US11667644, Example 239 ...)
Show SMILES Cc1nc(nc(C)c1C)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1ncccn1
Show InChI InChI=1S/C24H25FN6O/c1-14-15(2)28-24(29-16(14)3)31-12-17-10-30(11-18(17)13-31)23(32)19-6-4-7-20(25)21(19)22-26-8-5-9-27-22/h4-9,17-18H,10-13H2,1-3H3
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 7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118658
PNG
(US11059828, Example 311 | US11667644, Example 311 ...)
Show SMILES Cc1nc(nc(C)c1C)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1ncn(C)n1
Show InChI InChI=1S/C23H27N7O/c1-14-15(2)25-23(26-16(14)3)30-11-17-9-29(10-18(17)12-30)22(31)20-8-6-5-7-19(20)21-24-13-28(4)27-21/h5-8,13,17-18H,9-12H2,1-4H3
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 7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118390
PNG
(US11059828, Example 43 | US11667644, Example 43 | ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1
Show InChI InChI=1S/C23H24N4OS/c1-15-10-16(2)25-23(24-15)27-13-17-11-26(12-18(17)14-27)22(28)20-7-4-3-6-19(20)21-8-5-9-29-21/h3-10,17-18H,11-14H2,1-2H3
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 7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118660
PNG
(US11059828, Example 313 | US11667644, Example 313 ...)
Show SMILES Cc1nc(nc2CCCc12)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C23H24FN7O/c1-14-17-4-2-6-19(17)28-23(27-14)30-12-15-10-29(11-16(15)13-30)22(32)21-18(24)5-3-7-20(21)31-25-8-9-26-31/h3,5,7-9,15-16H,2,4,6,10-13H2,1H3
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 7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118587
PNG
(US11059828, Example 240 | US11667644, Example 240 ...)
Show SMILES Cc1nc(nc(C)c1C)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C22H24FN7O/c1-13-14(2)26-22(27-15(13)3)29-11-16-9-28(10-17(16)12-29)21(31)18-5-4-6-19(23)20(18)30-24-7-8-25-30/h4-8,16-17H,9-12H2,1-3H3
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 7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118656
PNG
(US11059828, Example 309 | US11667644, Example 309 ...)
Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1nc(C)c(C)c(C)n1
Show InChI InChI=1S/C23H26N6O2/c1-13-14(2)24-23(25-15(13)3)29-11-17-9-28(10-18(17)12-29)22(30)20-8-6-5-7-19(20)21-26-16(4)27-31-21/h5-8,17-18H,9-12H2,1-4H3
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 7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118652
PNG
(US11059828, Example 305 | US11667644, Example 305 ...)
Show SMILES Cc1nc(nc(C)c1C)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1nnc[nH]1
Show InChI InChI=1S/C22H25N7O/c1-13-14(2)25-22(26-15(13)3)29-10-16-8-28(9-17(16)11-29)21(30)19-7-5-4-6-18(19)20-23-12-24-27-20/h4-7,12,16-17H,8-11H2,1-3H3,(H,23,24,27)
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 7n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118673
PNG
(US11059828, Example 326 | US11667644, Example 326 ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc2Cc3ccccc3-c12
Show InChI InChI=1S/C26H26N4O/c1-16-10-17(2)28-26(27-16)30-14-20-12-29(13-21(20)15-30)25(31)23-9-5-7-19-11-18-6-3-4-8-22(18)24(19)23/h3-10,20-21H,11-15H2,1-2H3
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 8n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118631
PNG
(US8653263, 284)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1cc[nH]n1
Show InChI InChI=1S/C22H23FN6O/c1-13-8-14(2)26-22(25-13)29-11-15-9-28(10-16(15)12-29)21(30)17-4-3-5-18(23)20(17)19-6-7-24-27-19/h3-8,15-16H,9-12H2,1-2H3,(H,24,27)
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 8n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118606
PNG
(US11059828, Example 259 | US11667644, Example 259 ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(C)cccc1-n1nccn1
Show InChI InChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3
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 8n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118645
PNG
(US11059828, Example 298 | US11667644, Example 298 ...)
Show SMILES CC(C)c1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C23H26FN7O/c1-14(2)19-9-15(3)27-23(28-19)30-12-16-10-29(11-17(16)13-30)22(32)21-18(24)5-4-6-20(21)31-25-7-8-26-31/h4-9,14,16-17H,10-13H2,1-3H3
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 9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118726
PNG
(US11059828, Example 379 | US11667644, Example 379 ...)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)c(F)c(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H24FN7O2/c1-13-20(23)14(2)27-22(26-13)29-11-15-9-28(10-16(15)12-29)21(31)18-5-4-17(32-3)8-19(18)30-24-6-7-25-30/h4-8,15-16H,9-12H2,1-3H3
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 9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118643
PNG
(US11059828, Example 296 | US11667644, Example 296 ...)
Show SMILES COc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H22FN7O2/c1-13-8-18(31-2)26-21(25-13)28-11-14-9-27(10-15(14)12-28)20(30)19-16(22)4-3-5-17(19)29-23-6-7-24-29/h3-8,14-15H,9-12H2,1-2H3
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 9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118454
PNG
(US11059828, Example 382 | US11667644, Example 107 ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)19-17(22)4-3-5-18(19)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
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 9n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118725
PNG
(US11059828, Example 378 | US11667644, Example 378 ...)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2ncc(Cl)c(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C21H22ClN7O2/c1-13-18(22)8-23-21(26-13)28-11-14-9-27(10-15(14)12-28)20(30)17-4-3-16(31-2)7-19(17)29-24-5-6-25-29/h3-8,14-15H,9-12H2,1-2H3
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 10n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118663
PNG
(US11059828, Example 316 | US11667644, Example 316 ...)
Show SMILES Cc1nc(ncc1Cl)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1
Show InChI InChI=1S/C20H19ClFN7O/c1-12-15(21)7-23-20(26-12)28-10-13-8-27(9-14(13)11-28)19(30)18-16(22)3-2-4-17(18)29-24-5-6-25-29/h2-7,13-14H,8-11H2,1H3
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 10n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118630
PNG
(US11059828, Example 283 | US11667644, Example 283 ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1ncccn1
Show InChI InChI=1S/C23H23FN6O/c1-14-9-15(2)28-23(27-14)30-12-16-10-29(11-17(16)13-30)22(31)18-5-3-6-19(24)20(18)21-25-7-4-8-26-21/h3-9,16-17H,10-13H2,1-2H3
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 10n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118669
PNG
(US11059828, Example 322 | US11667644, Example 322 ...)
Show SMILES CCc1c(C)nc(nc1C)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1ncn(C)n1
Show InChI InChI=1S/C24H29N7O/c1-5-19-15(2)26-24(27-16(19)3)31-12-17-10-30(11-18(17)13-31)23(32)21-9-7-6-8-20(21)22-25-14-29(4)28-22/h6-9,14,17-18H,5,10-13H2,1-4H3
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 10n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118593
PNG
(US11059828, Example 246 | US11667644, Example 246 ...)
Show SMILES Fc1cccc(c1C(=O)N1CC2CN(CC2C1)c1cnc2cc(F)c(F)cc2n1)-n1nccn1
Show InChI InChI=1S/C23H18F3N7O/c24-15-2-1-3-20(33-28-4-5-29-33)22(15)23(34)32-11-13-9-31(10-14(13)12-32)21-8-27-18-6-16(25)17(26)7-19(18)30-21/h1-8,13-14H,9-12H2
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 11n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118635
PNG
(US11059828, Example 384 | US11667644, Example 288 ...)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2nc(C)cc(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H25N7O2/c1-14-8-15(2)26-22(25-14)28-12-16-10-27(11-17(16)13-28)21(30)19-5-4-18(31-3)9-20(19)29-23-6-7-24-29/h4-9,16-17H,10-13H2,1-3H3
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 11n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118430
PNG
(US11059828, Example 264 | US11667644, Example 83 |...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3
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 12n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118415
PNG
(US11059828, Example 68 | US11667644, Example 68 | ...)
Show SMILES COc1cc(OC)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-c1ncccn1
Show InChI InChI=1S/C23H23FN6O3/c1-32-18-9-19(33-2)28-23(27-18)30-12-14-10-29(11-15(14)13-30)22(31)20-16(5-3-6-17(20)24)21-25-7-4-8-26-21/h3-9,14-15H,10-13H2,1-2H3
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 13n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118661
PNG
(US11059828, Example 383 | US11667644, Example 314 ...)
Show SMILES Cc1noc(n1)-c1c(F)cccc1C(=O)N1CC2CN(CC2C1)c1nc(C)cc(C)n1
Show InChI InChI=1S/C22H23FN6O2/c1-12-7-13(2)25-22(24-12)29-10-15-8-28(9-16(15)11-29)21(30)17-5-4-6-18(23)19(17)20-26-14(3)27-31-20/h4-7,15-16H,8-11H2,1-3H3
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 13n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118362
PNG
(US11059828, Example 15 | US11667644, Example 15 | ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-n1nccn1
Show InChI InChI=1S/C21H22FN7O/c1-13-8-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)17-4-3-5-18(22)19(17)29-23-6-7-24-29/h3-8,15-16H,9-12H2,1-2H3
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 13n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118352
PNG
(US11059828, Example 5 | US11667644, Example 5 | US...)
Show SMILES COc1cc(nc(n1)N(C)C)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H26N8O2/c1-27(2)22-25-19(10-20(26-22)32-3)28-11-15-13-29(14-16(15)12-28)21(31)17-6-4-5-7-18(17)30-23-8-9-24-30/h4-10,15-16H,11-14H2,1-3H3
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 14n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118421
PNG
(US11059828, Example 74 | US11667644, Example 74 | ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cc(F)ccc1-c1ncccn1
Show InChI InChI=1S/C23H23FN6O/c1-14-8-15(2)28-23(27-14)30-12-16-10-29(11-17(16)13-30)22(31)20-9-18(24)4-5-19(20)21-25-6-3-7-26-21/h3-9,16-17H,10-13H2,1-2H3
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 14n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118446
PNG
(US11059828, Example 99 | US11667644, Example 99 | ...)
Show SMILES Cc1cc(nc(n1)C(F)(F)F)N1CC2CN(CC2C1)C(=O)c1ccc(F)cc1-n1nccn1
Show InChI InChI=1S/C21H19F4N7O/c1-12-6-18(29-20(28-12)21(23,24)25)30-8-13-10-31(11-14(13)9-30)19(33)16-3-2-15(22)7-17(16)32-26-4-5-27-32/h2-7,13-14H,8-11H2,1H3
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 15n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118727
PNG
(US11059828, Example 380 | US11667644, Example 380 ...)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2ncc(C)c(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C22H25N7O2/c1-14-9-23-22(26-15(14)2)28-12-16-10-27(11-17(16)13-28)21(30)19-5-4-18(31-3)8-20(19)29-24-6-7-25-29/h4-9,16-17H,10-13H2,1-3H3
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 15n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118468
PNG
(US11059828, Example 121 | US11667644, Example 121 ...)
Show SMILES CN(C)c1nc(cc(n1)C(F)(F)F)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C22H23F3N8O/c1-30(2)21-28-18(22(23,24)25)9-19(29-21)31-10-14-12-32(13-15(14)11-31)20(34)16-5-3-4-6-17(16)33-26-7-8-27-33/h3-9,14-15H,10-13H2,1-2H3
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 15n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118714
PNG
(US11059828, Example 367 | US11667644, Example 367 ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1ccccn1
Show InChI InChI=1S/C24H24FN5O/c1-15-10-16(2)28-24(27-15)30-13-17-11-29(12-18(17)14-30)23(31)19-6-5-7-20(25)22(19)21-8-3-4-9-26-21/h3-10,17-18H,11-14H2,1-2H3
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 15n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118646
PNG
(US11059828, Example 299 | US11667644, Example 299 ...)
Show SMILES CC(C)c1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-n1nccn1
Show InChI InChI=1S/C23H27N7O/c1-15(2)20-10-16(3)26-23(27-20)29-13-17-11-28(12-18(17)14-29)22(31)19-6-4-5-7-21(19)30-24-8-9-25-30/h4-10,15,17-18H,11-14H2,1-3H3
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 15n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118590
PNG
(US11059828, Example 243 | US11667644, Example 243 ...)
Show SMILES Fc1ccc2nc(ncc2c1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1ncccn1
Show InChI InChI=1S/C25H20F2N6O/c26-18-5-6-21-15(9-18)10-30-25(31-21)33-13-16-11-32(12-17(16)14-33)24(34)19-3-1-4-20(27)22(19)23-28-7-2-8-29-23/h1-10,16-17H,11-14H2
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 16n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118672
PNG
(US11059828, Example 325 | US11667644, Example 325 ...)
Show SMILES Cc1nc(nc(C)c1F)N1CC2CN(CC2C1)C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C20H21FN8O/c1-12-17(21)13(2)26-20(25-12)28-10-14-8-27(9-15(14)11-28)19(30)18-16(4-3-5-22-18)29-23-6-7-24-29/h3-7,14-15H,8-11H2,1-2H3
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 16n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118731
PNG
(US11667644, Example 387 | US8653263, 387 | US95869...)
Show SMILES Fc1cc2ncc(nc2cc1F)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1ncccn1
Show InChI InChI=1S/C25H19F3N6O/c26-17-4-1-3-16(23(17)24-29-5-2-6-30-24)25(35)34-12-14-10-33(11-15(14)13-34)22-9-31-20-7-18(27)19(28)8-21(20)32-22/h1-9,14-15H,10-13H2
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 16n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118671
PNG
(US11059828, Example 324 | US11667644, Example 324 ...)
Show SMILES Cc1nc(nc(C)c1Cl)N1CC2CN(CC2C1)C(=O)c1ncccc1-n1nccn1
Show InChI InChI=1S/C20H21ClN8O/c1-12-17(21)13(2)26-20(25-12)28-10-14-8-27(9-15(14)11-28)19(30)18-16(4-3-5-22-18)29-23-6-7-24-29/h3-7,14-15H,8-11H2,1-2H3
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 16n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118724
PNG
(US11059828, Example 377 | US11667644, Example 377 ...)
Show SMILES COc1ccc(C(=O)N2CC3CN(CC3C2)c2ncc(F)c(C)n2)c(c1)-n1nccn1
Show InChI InChI=1S/C21H22FN7O2/c1-13-18(22)8-23-21(26-13)28-11-14-9-27(10-15(14)12-28)20(30)17-4-3-16(31-2)7-19(17)29-24-5-6-25-29/h3-8,14-15H,9-12H2,1-2H3
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 17n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118588
PNG
(US11059828, Example 241 | US11667644, Example 241 ...)
Show SMILES COc1ccc(c(c1)C(=O)N1CC2CN(CC2C1)c1nc(C)c(C)c(C)n1)-n1nccn1
Show InChI InChI=1S/C23H27N7O2/c1-14-15(2)26-23(27-16(14)3)29-12-17-10-28(11-18(17)13-29)22(31)20-9-19(32-4)5-6-21(20)30-24-7-8-25-30/h5-9,17-18H,10-13H2,1-4H3
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 17n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118723
PNG
(US11059828, Example 376 | US11667644, Example 376 ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1cccc(F)c1-c1ncco1
Show InChI InChI=1S/C22H22FN5O2/c1-13-8-14(2)26-22(25-13)28-11-15-9-27(10-16(15)12-28)21(29)17-4-3-5-18(23)19(17)20-24-6-7-30-20/h3-8,15-16H,9-12H2,1-2H3
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 17n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118449
PNG
(US11059828, Example 102 | US11667644, Example 102 ...)
Show SMILES Cc1ccc(-c2ncccn2)c(c1)C(=O)N1CC2CN(CC2C1)c1nc(C)cc(C)n1
Show InChI InChI=1S/C24H26N6O/c1-15-5-6-20(22-25-7-4-8-26-22)21(9-15)23(31)29-11-18-13-30(14-19(18)12-29)24-27-16(2)10-17(3)28-24/h4-10,18-19H,11-14H2,1-3H3
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 17n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118649
PNG
(US11059828, Example 302 | US11667644, Example 302 ...)
Show SMILES Cc1cc(nc(n1)N1CC2CN(CC2C1)C(=O)c1c(F)cccc1-n1nccn1)C1CC1
Show InChI InChI=1S/C23H24FN7O/c1-14-9-19(15-5-6-15)28-23(27-14)30-12-16-10-29(11-17(16)13-30)22(32)21-18(24)3-2-4-20(21)31-25-7-8-26-31/h2-4,7-9,15-17H,5-6,10-13H2,1H3
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 17n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118416
PNG
(US11059828, Example 69 | US11667644, Example 69 | ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1ccccn1
Show InChI InChI=1S/C24H25N5O/c1-16-11-17(2)27-24(26-16)29-14-18-12-28(13-19(18)15-29)23(30)21-8-4-3-7-20(21)22-9-5-6-10-25-22/h3-11,18-19H,12-15H2,1-2H3
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 17n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118591
PNG
(US11667644, Example 244 | US8653263, 244 | US95869...)
Show SMILES Fc1cccc(C(=O)N2CC3CN(CC3C2)c2ncc3cc(F)c(F)cc3n2)c1-n1nccn1
Show InChI InChI=1S/C23H18F3N7O/c24-17-3-1-2-16(21(17)33-28-4-5-29-33)22(34)31-9-14-11-32(12-15(14)10-31)23-27-8-13-6-18(25)19(26)7-20(13)30-23/h1-8,14-15H,9-12H2
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 18n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118666
PNG
(US11059828, Example 319 | US11667644, Example 319 ...)
Show SMILES Cc1noc(n1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1nc2CCCc2c(C)n1
Show InChI InChI=1S/C24H26N6O2/c1-14-18-8-5-9-21(18)27-24(25-14)30-12-16-10-29(11-17(16)13-30)23(31)20-7-4-3-6-19(20)22-26-15(2)28-32-22/h3-4,6-7,16-17H,5,8-13H2,1-2H3
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 18n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))		BDBM118475
PNG
(US11059828, Example 128 | US11667644, Example 128 ...)
Show SMILES Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1ccc(Cl)cc1-n1nccn1
Show InChI InChI=1S/C21H22ClN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-4-3-17(22)8-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3
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 18n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica

US Patent


Assay Description
The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...

US Patent US8653263 (2014)


BindingDB Entry DOI: 10.7270/Q2BR8QV7
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%