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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 2496   
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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189904
PNG
(US10227346, Example 29 | US10426135, Example 29 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190325
PNG
(US10227346, Example 81 | US10426135, Example 81 | ...)
Show SMILES C[C@H]1CN(CC[C@H]1c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(=O)C1CCCC1 |r|
Show InChI InChI=1S/C29H30F3N5O2/c1-17-15-37(28(39)19-7-3-4-8-19)11-10-21(17)22-16-36(2)26-24(22)25(29(30,31)32)23(14-34-26)35-27(38)20-9-5-6-18(12-20)13-33/h5-6,9,12,14,16-17,19,21H,3-4,7-8,10-11,15H2,1-2H3,(H,35,38)/t17-,21+/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189884
PNG
(US10227346, Example 11 | US10426135, Example 11 | ...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(Cl)c(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C26H25ClF3N5O2/c1-14(2)25(37)35-8-6-15(7-9-35)18-13-34(3)23-21(18)22(26(28,29)30)20(12-32-23)33-24(36)16-4-5-19(27)17(10-16)11-31/h4-5,10,12-15H,6-9H2,1-3H3,(H,33,36)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM368656
PNG
(3-cyano-N-(3-((1R,5S,8r)-3-isobutyryl-3- azabicycl...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3[C@H]4CC[C@@H]3CN(C4)C(=O)C(C)C)c2c1C(F)(F)F |r|
Show InChI InChI=1S/C29H30F3N5O3/c1-15(2)28(39)37-12-17-5-6-18(13-37)23(17)20-14-36(3)26-24(20)25(29(30,31)32)21(11-34-26)35-27(38)16-7-8-22(40-4)19(9-16)10-33/h7-9,11,14-15,17-18,23H,5-6,12-13H2,1-4H3,(H,35,38)/t17-,18+,23?
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189895
PNG
(US10227346, Example 22 | US10426135, Example 22 | ...)
Show SMILES C[C@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C |r|
Show InChI InChI=1S/C29H32F3N5O2/c1-17(28(2,3)4)27(39)37-11-9-19(10-12-37)21-16-36(5)25-23(21)24(29(30,31)32)22(15-34-25)35-26(38)20-8-6-7-18(13-20)14-33/h6-8,13,15-17,19H,9-12H2,1-5H3,(H,35,38)/t17-/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190346
PNG
(US10227346, Example 95 | US10426135, Example 95 | ...)
Show SMILES CC(C)C(=O)N1CC[C@H](C[C@@H]1C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F3N5O2/c1-15(2)26(37)35-9-8-18(10-16(35)3)20-14-34(4)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)19-7-5-6-17(11-19)12-31/h5-7,11,13-16,18H,8-10H2,1-4H3,(H,33,36)/t16-,18+/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189905
PNG
(US10227346, Example 30 | US10426135, Example 30 | ...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C(F)(F)F |r|
Show InChI InChI=1S/C30H34F3N5O3/c1-17(29(2,3)4)28(40)38-11-9-18(10-12-38)21-16-37(5)26-24(21)25(30(31,32)33)22(15-35-26)36-27(39)19-7-8-23(41-6)20(13-19)14-34/h7-8,13,15-18H,9-12H2,1-6H3,(H,36,39)/t17-/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189874
PNG
(US10227346, Example 3 | US10426135, Example 3 | US...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2c(c(NC(=O)c3ccc(F)c(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H27F4N5O2/c1-36-15-20(16-8-10-37(11-9-16)27(39)17-4-2-3-5-17)23-24(28(30,31)32)22(14-34-25(23)36)35-26(38)18-6-7-21(29)19(12-18)13-33/h6-7,12,14-17H,2-5,8-11H2,1H3,(H,35,38)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189882
PNG
(US10227346, Example 10 | US10426135, Example 10 | ...)
Show SMILES COc1ccc(cc1Cl)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C26H28ClF3N4O3/c1-14(2)25(36)34-9-7-15(8-10-34)17-13-33(3)23-21(17)22(26(28,29)30)19(12-31-23)32-24(35)16-5-6-20(37-4)18(27)11-16/h5-6,11-15H,7-10H2,1-4H3,(H,32,35)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189891
PNG
(US10227346, Example 18 | US10426135, Example 18 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-35-16-21(19-8-10-36(11-9-19)23(37)13-17-4-2-5-17)24-25(28(29,30)31)22(15-33-26(24)35)34-27(38)20-7-3-6-18(12-20)14-32/h3,6-7,12,15-17,19H,2,4-5,8-11,13H2,1H3,(H,34,38)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189888
PNG
(US10227346, Example 15 | US10426135, Example 15 | ...)
Show SMILES CC(C)CC(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-16(2)11-22(36)35-9-7-18(8-10-35)20-15-34(3)25-23(20)24(27(28,29)30)21(14-32-25)33-26(37)19-6-4-5-17(12-19)13-31/h4-6,12,14-16,18H,7-11H2,1-3H3,(H,33,37)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189873
PNG
(US10227346, Example 2 | US10426135, Example 2 | US...)
Show SMILES Cc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-17-7-8-20(13-21(17)14-33)27(38)35-23-15-34-26-24(25(23)29(30,31)32)22(16-36(26)2)18-9-11-37(12-10-18)28(39)19-5-3-4-6-19/h7-8,13,15-16,18-19H,3-6,9-12H2,1-2H3,(H,35,38)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190324
PNG
(US10227346, Example 80 | US10426135, Example 80 | ...)
Show SMILES CC(C)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F |r|
Show InChI InChI=1S/C27H28F3N5O2/c1-15(2)26(37)35-9-8-19(16(3)13-35)20-14-34(4)24-22(20)23(27(28,29)30)21(12-32-24)33-25(36)18-7-5-6-17(10-18)11-31/h5-7,10,12,14-16,19H,8-9,13H2,1-4H3,(H,33,36)/t16-,19+/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189918
PNG
(US10227346, Example 41 | US10426135, Example 41 | ...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cc(Cl)ccc3F)c(C)c12)C(C)(C)C |r|
Show InChI InChI=1S/C28H34ClFN4O2/c1-16-23(32-26(35)20-13-19(29)7-8-22(20)30)14-31-25-24(16)21(15-33(25)6)18-9-11-34(12-10-18)27(36)17(2)28(3,4)5/h7-8,13-15,17-18H,9-12H2,1-6H3,(H,32,35)/t17-/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM368615
PNG
(US10227346, Example 36 | US10426135, Example 36)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CC4CC[C@H]3C4)c12 |r|
Show InChI InChI=1S/C30H33N5O2/c1-18-26(33-29(36)23-5-3-4-20(13-23)15-31)16-32-28-27(18)25(17-34(28)2)21-8-10-35(11-9-21)30(37)24-14-19-6-7-22(24)12-19/h3-5,13,16-17,19,21-22,24H,6-12,14H2,1-2H3,(H,33,36)/t19?,22-,24?/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189897
PNG
(US10227346, Example 23 | US10426135, Example 23 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C28H28F3N5O2/c1-35-16-21(18-9-11-36(12-10-18)27(38)19-6-2-3-7-19)23-24(28(29,30)31)22(15-33-25(23)35)34-26(37)20-8-4-5-17(13-20)14-32/h4-5,8,13,15-16,18-19H,2-3,6-7,9-12H2,1H3,(H,34,37)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189936
PNG
(US10227346, Example 54 | US10426135, Example 54 | ...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cc(O)cc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C |r|
Show InChI InChI=1S/C29H32F3N5O3/c1-16(28(2,3)4)27(40)37-8-6-18(7-9-37)21-15-36(5)25-23(21)24(29(30,31)32)22(14-34-25)35-26(39)19-10-17(13-33)11-20(38)12-19/h10-12,14-16,18,38H,6-9H2,1-5H3,(H,35,39)/t16-/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189879
PNG
(US10227346, Example 7 | US10426135, Example 7 | US...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(C)c(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2/c1-15(2)26(37)35-9-7-17(8-10-35)20-14-34(4)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)18-6-5-16(3)19(11-18)12-31/h5-6,11,13-15,17H,7-10H2,1-4H3,(H,33,36)
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Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189886
PNG
(US10227346, Example 13 | US10426135, Example 13 | ...)
Show SMILES COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C26H28ClF3N4O3/c1-14(2)25(36)34-7-5-15(6-8-34)19-13-33(3)23-21(19)22(26(28,29)30)20(12-31-23)32-24(35)16-9-17(27)11-18(10-16)37-4/h9-15H,5-8H2,1-4H3,(H,32,35)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189894
PNG
(US10227346, Example 21 | US10426135, Example 21 | ...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F)C(C)(C)C |r|
Show InChI InChI=1S/C29H32F3N5O2/c1-17(28(2,3)4)27(39)37-11-9-19(10-12-37)21-16-36(5)25-23(21)24(29(30,31)32)22(15-34-25)35-26(38)20-8-6-7-18(13-20)14-33/h6-8,13,15-17,19H,9-12H2,1-5H3,(H,35,38)/t17-/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190326
PNG
(US10227346, Example 82 | US10426135, Example 82 | ...)
Show SMILES CC(C)C(=O)N1CC[C@H]([C@@H](C)C1)c1cn(C)c2ncc(NC(=O)c3cccc(C#N)c3F)c(c12)C(F)(F)F |r|
Show InChI InChI=1S/C27H27F4N5O2/c1-14(2)26(38)36-9-8-17(15(3)12-36)19-13-35(4)24-21(19)22(27(29,30)31)20(11-33-24)34-25(37)18-7-5-6-16(10-32)23(18)28/h5-7,11,13-15,17H,8-9,12H2,1-4H3,(H,34,37)/t15-,17+/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190320
PNG
(US10227346, Example 77 | US10426135, Example 77 | ...)
Show SMILES CC(C)C(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F |r|
Show InChI InChI=1S/C28H28F3N5O2/c1-15(2)27(38)36-12-18-7-8-19(13-36)22(18)20-14-35(3)25-23(20)24(28(29,30)31)21(11-33-25)34-26(37)17-6-4-5-16(9-17)10-32/h4-6,9,11,14-15,18-19,22H,7-8,12-13H2,1-3H3,(H,34,37)/t18-,19+,22-
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189893
PNG
(US10227346, Example 20 | US10426135, Example 20 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCCCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C30H32F3N5O2/c1-37-18-23(21-10-12-38(13-11-21)25(39)15-19-6-3-2-4-7-19)26-27(30(31,32)33)24(17-35-28(26)37)36-29(40)22-9-5-8-20(14-22)16-34/h5,8-9,14,17-19,21H,2-4,6-7,10-13,15H2,1H3,(H,36,40)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189890
PNG
(US10227346, Example 17 | US10426135, Example 17 | ...)
Show SMILES CC(C)C(C)(C)CC(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C30H34F3N5O2/c1-18(2)29(3,4)14-24(39)38-11-9-20(10-12-38)22-17-37(5)27-25(22)26(30(31,32)33)23(16-35-27)36-28(40)21-8-6-7-19(13-21)15-34/h6-8,13,16-18,20H,9-12,14H2,1-5H3,(H,36,40)
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n/an/a 5.30n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189881
PNG
(US10227346, Example 9 | US10426135, Example 9 | US...)
Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(F)c(c3)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O2/c1-14(2)25(37)35-8-6-15(7-9-35)18-13-34(3)23-21(18)22(26(28,29)30)20(12-32-23)33-24(36)16-4-5-19(27)17(10-16)11-31/h4-5,10,12-15H,6-9H2,1-3H3,(H,33,36)
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n/an/a 5.40n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189880
PNG
(US10227346, Example 8 | US10426135, Example 8 | US...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F)C#N
Show InChI InChI=1S/C27H28F3N5O3/c1-15(2)26(37)35-7-5-17(6-8-35)20-14-34(3)24-22(20)23(27(28,29)30)21(13-32-24)33-25(36)18-9-16(12-31)10-19(11-18)38-4/h9-11,13-15,17H,5-8H2,1-4H3,(H,33,36)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190312
PNG
(US10227346, Example 70 | US10426135, Example 70 | ...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc([C@@H]3CCN(C(=O)C(C)C)C(C)(C)C3)c2c1C |r|
Show InChI InChI=1S/C29H35N5O3/c1-17(2)28(36)34-11-10-20(13-29(34,4)5)22-16-33(6)26-25(22)18(3)23(15-31-26)32-27(35)19-8-9-24(37-7)21(12-19)14-30/h8-9,12,15-17,20H,10-11,13H2,1-7H3,(H,32,35)/t20-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189906
PNG
(US10227346, Example 31 | US10426135, Example 31 | ...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@@H](C)C(C)(C)C)c2c1C(F)(F)F |r|
Show InChI InChI=1S/C30H34F3N5O3/c1-17(29(2,3)4)28(40)38-11-9-18(10-12-38)21-16-37(5)26-24(21)25(30(31,32)33)22(15-35-26)36-27(39)19-7-8-23(41-6)20(13-19)14-34/h7-8,13,15-18H,9-12H2,1-6H3,(H,36,39)/t17-/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189938
PNG
(US10227346, Example 56 | US10426135, Example 56 | ...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cc(O)cc(c3)C#N)c(C)c12)C(C)(C)C |r|
Show InChI InChI=1S/C29H35N5O3/c1-17-24(32-27(36)21-11-19(14-30)12-22(35)13-21)15-31-26-25(17)23(16-33(26)6)20-7-9-34(10-8-20)28(37)18(2)29(3,4)5/h11-13,15-16,18,20,35H,7-10H2,1-6H3,(H,32,36)/t18-/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189887
PNG
(US10227346, Example 14 | US10426135, Example 14 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CCCC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O2/c1-36-17-22(20-9-11-37(12-10-20)24(38)14-18-5-2-3-6-18)25-26(29(30,31)32)23(16-34-27(25)36)35-28(39)21-8-4-7-19(13-21)15-33/h4,7-8,13,16-18,20H,2-3,5-6,9-12,14H2,1H3,(H,35,39)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190304
PNG
(US10227346, Example 65 | US10426135, Example 65 | ...)
Show SMILES Cn1cc([C@@H]2CCN(C(=O)C3CCCC3)C(C)(C)C2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F |r|
Show InChI InChI=1S/C30H32F3N5O2/c1-29(2)14-21(11-12-38(29)28(40)19-8-4-5-9-19)22-17-37(3)26-24(22)25(30(31,32)33)23(16-35-26)36-27(39)20-10-6-7-18(13-20)15-34/h6-7,10,13,16-17,19,21H,4-5,8-9,11-12,14H2,1-3H3,(H,36,39)/t21-/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189910
PNG
(US10227346, Example 34 | US10426135, Example 34 | ...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)c3cccc4CCCc34)c12
Show InChI InChI=1S/C32H31N5O2/c1-20-28(35-31(38)24-9-3-6-21(16-24)17-33)18-34-30-29(20)27(19-36(30)2)23-12-14-37(15-13-23)32(39)26-11-5-8-22-7-4-10-25(22)26/h3,5-6,8-9,11,16,18-19,23H,4,7,10,12-15H2,1-2H3,(H,35,38)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189878
PNG
(US10227346, Example 6 | US10426135, Example 6 | US...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O3/c1-15(2)26(37)35-9-7-16(8-10-35)19-14-34(3)24-22(19)23(27(28,29)30)20(13-32-24)33-25(36)17-5-6-21(38-4)18(11-17)12-31/h5-6,11,13-16H,7-10H2,1-4H3,(H,33,36)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189898
PNG
(US10227346, Example 24 | US10426135, Example 24 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)CC2CC2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F
Show InChI InChI=1S/C27H26F3N5O2/c1-34-15-20(18-7-9-35(10-8-18)22(36)12-16-5-6-16)23-24(27(28,29)30)21(14-32-25(23)34)33-26(37)19-4-2-3-17(11-19)13-31/h2-4,11,14-16,18H,5-10,12H2,1H3,(H,33,37)
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n/an/a 5.80n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189899
PNG
(US10227346, Example 25 | US10426135, Example 25 | ...)
Show SMILES CC(C1CC1)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F |w:1.0|
Show InChI InChI=1S/C28H28F3N5O2/c1-16(18-6-7-18)27(38)36-10-8-19(9-11-36)21-15-35(2)25-23(21)24(28(29,30)31)22(14-33-25)34-26(37)20-5-3-4-17(12-20)13-32/h3-5,12,14-16,18-19H,6-11H2,1-2H3,(H,34,37)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190317
PNG
(US10227346, Example 74 | US10426135, Example 74 | ...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)CC4CCCC4)C(C)(C)C3)c12 |r|
Show InChI InChI=1S/C31H37N5O2/c1-20-26(34-30(38)23-11-7-10-22(14-23)17-32)18-33-29-28(20)25(19-35(29)4)24-12-13-36(31(2,3)16-24)27(37)15-21-8-5-6-9-21/h7,10-11,14,18-19,21,24H,5-6,8-9,12-13,15-16H2,1-4H3,(H,34,38)/t24-/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189931
PNG
(US10227346, Example 49 | US10426135, Example 49 | ...)
Show SMILES CC(C)[C@@H]1CCC[C@H]1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12 |r|
Show InChI InChI=1S/C31H37N5O2/c1-19(2)24-9-6-10-25(24)31(38)36-13-11-22(12-14-36)26-18-35(4)29-28(26)20(3)27(17-33-29)34-30(37)23-8-5-7-21(15-23)16-32/h5,7-8,15,17-19,22,24-25H,6,9-14H2,1-4H3,(H,34,37)/t24-,25+/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189902
PNG
(US10227346, Example 27 | US10426135, Example 27 | ...)
Show SMILES C[C@@H]1CCC[C@@H]1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F |r|
Show InChI InChI=1S/C29H30F3N5O2/c1-17-5-3-8-21(17)28(39)37-11-9-19(10-12-37)22-16-36(2)26-24(22)25(29(30,31)32)23(15-34-26)35-27(38)20-7-4-6-18(13-20)14-33/h4,6-7,13,15-17,19,21H,3,5,8-12H2,1-2H3,(H,35,38)/t17-,21+/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189901
PNG
(US10227346, Example 26 | US10426135, Example 26 | ...)
Show SMILES C[C@@H]1CCC[C@H]1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F |r|
Show InChI InChI=1S/C29H30F3N5O2/c1-17-5-3-8-21(17)28(39)37-11-9-19(10-12-37)22-16-36(2)26-24(22)25(29(30,31)32)23(15-34-26)35-27(38)20-7-4-6-18(13-20)14-33/h4,6-7,13,15-17,19,21H,3,5,8-12H2,1-2H3,(H,35,38)/t17-,21-/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189933
PNG
(US10227346, Example 51 | US10426135, Example 51 | ...)
Show SMILES C[C@H](C1CCCC1)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12 |r|
Show InChI InChI=1S/C30H35N5O2/c1-19(22-8-4-5-9-22)30(37)35-13-11-23(12-14-35)25-18-34(3)28-27(25)20(2)26(17-32-28)33-29(36)24-10-6-7-21(15-24)16-31/h6-7,10,15,17-19,22-23H,4-5,8-9,11-14H2,1-3H3,(H,33,36)/t19-/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189872
PNG
(US10227346, Example 1 | US10426135, Example 1 | US...)
Show SMILES COc1cc(cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1C(F)(F)F)C#N
Show InChI InChI=1S/C29H30F3N5O3/c1-36-16-22(18-7-9-37(10-8-18)28(39)19-5-3-4-6-19)24-25(29(30,31)32)23(15-34-26(24)36)35-27(38)20-11-17(14-33)12-21(13-20)40-2/h11-13,15-16,18-19H,3-10H2,1-2H3,(H,35,38)
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189903
PNG
(US10227346, Example 28 | US10426135, Example 28 | ...)
Show SMILES Cn1cc(C2CCN(CC2)C(=O)[C@H]2CCCS2)c2c(c(NC(=O)c3cccc(c3)C#N)cnc12)C(F)(F)F |r|
Show InChI InChI=1S/C27H26F3N5O2S/c1-34-15-19(17-7-9-35(10-8-17)26(37)21-6-3-11-38-21)22-23(27(28,29)30)20(14-32-24(22)34)33-25(36)18-5-2-4-16(12-18)13-31/h2,4-5,12,14-15,17,21H,3,6-11H2,1H3,(H,33,36)/t21-/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM368614
PNG
(N-(3-(1-((1R,2S,4S)-bicyclo[2.2.1]heptane-2- carbo...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CC4CC[C@@H]3C4)c12 |r|
Show InChI InChI=1S/C30H33N5O2/c1-18-26(33-29(36)23-5-3-4-20(13-23)15-31)16-32-28-27(18)25(17-34(28)2)21-8-10-35(11-9-21)30(37)24-14-19-6-7-22(24)12-19/h3-5,13,16-17,19,21-22,24H,6-12,14H2,1-2H3,(H,33,36)/t19?,22-,24?/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190318
PNG
(US10227346, Example 75 | US10426135, Example 75 | ...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)CC4CCCCC4)C(C)(C)C3)c12 |r|
Show InChI InChI=1S/C32H39N5O2/c1-21-27(35-31(39)24-12-8-11-23(15-24)18-33)19-34-30-29(21)26(20-36(30)4)25-13-14-37(32(2,3)17-25)28(38)16-22-9-6-5-7-10-22/h8,11-12,15,19-20,22,25H,5-7,9-10,13-14,16-17H2,1-4H3,(H,35,39)/t25-/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190307
PNG
(US10227346, Example 66 | US10426135, Example 66 | ...)
Show SMILES CC(C)C(=O)N1CC[C@H](CC1(C)C)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F |r|
Show InChI InChI=1S/C28H30F3N5O2/c1-16(2)26(38)36-10-9-19(12-27(36,3)4)20-15-35(5)24-22(20)23(28(29,30)31)21(14-33-24)34-25(37)18-8-6-7-17(11-18)13-32/h6-8,11,14-16,19H,9-10,12H2,1-5H3,(H,34,37)/t19-/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189932
PNG
(US10227346, Example 50 | US10426135, Example 50 | ...)
Show SMILES C[C@@H](C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12)C12CC(C1)C2 |r|
Show InChI InChI=1S/C30H33N5O2/c1-18-25(33-28(36)23-6-4-5-20(11-23)15-31)16-32-27-26(18)24(17-34(27)3)22-7-9-35(10-8-22)29(37)19(2)30-12-21(13-30)14-30/h4-6,11,16-17,19,21-22H,7-10,12-14H2,1-3H3,(H,33,36)/t19-,21?,30?/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM190319
PNG
(US10227346, Example 76 | US10426135, Example 76 | ...)
Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc([C@@H]3CCN(C(=O)CC4CCC4)C(C)(C)C3)c12 |r|
Show InChI InChI=1S/C30H35N5O2/c1-19-25(33-29(37)22-10-6-9-21(13-22)16-31)17-32-28-27(19)24(18-34(28)4)23-11-12-35(30(2,3)15-23)26(36)14-20-7-5-8-20/h6,9-10,13,17-18,20,23H,5,7-8,11-12,14-15H2,1-4H3,(H,33,37)/t23-/m1/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189917
PNG
(US10227346, Example 40 | US10426135, Example 40 | ...)
Show SMILES COc1ccc(cc1C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C)C#N |r|
Show InChI InChI=1S/C30H37N5O3/c1-18-24(33-28(36)22-14-20(15-31)8-9-25(22)38-7)16-32-27-26(18)23(17-34(27)6)21-10-12-35(13-11-21)29(37)19(2)30(3,4)5/h8-9,14,16-17,19,21H,10-13H2,1-7H3,(H,33,36)/t19-/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189919
PNG
(US10227346, Example 42 | US10426135, Example 42 | ...)
Show SMILES COc1cc(Cl)cc(c1)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C |r|
Show InChI InChI=1S/C29H37ClN4O3/c1-17-24(32-27(35)20-12-21(30)14-22(13-20)37-7)15-31-26-25(17)23(16-33(26)6)19-8-10-34(11-9-19)28(36)18(2)29(3,4)5/h12-16,18-19H,8-11H2,1-7H3,(H,32,35)/t18-/m0/s1
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Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM189915
PNG
(US10227346, Example 38 | US10426135, Example 38 | ...)
Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)[C@H](C)C(C)(C)C)c2c1C |r|
Show InChI InChI=1S/C30H37N5O3/c1-18-24(33-28(36)21-8-9-25(38-7)22(14-21)15-31)16-32-27-26(18)23(17-34(27)6)20-10-12-35(13-11-20)29(37)19(2)30(3,4)5/h8-9,14,16-17,19-20H,10-13H2,1-7H3,(H,33,36)/t19-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Universita di Napoli



Assay Description
The activity of compound of the invention can be determined by a co-activator recruitment by TR-FRET (time-resolved fluorescence resonance energy tra...

J Med Chem 51: 1764-70 (2008)


BindingDB Entry DOI: 10.7270/Q2SF2ZGV
More data for this
Ligand-Target Pair
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