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Patent code US9663469

Compile Data Set for Download or QSAR

Found 319 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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327613
PNG
(US9663469, 155)
Show SMILES OC(c1ccc2N([C@H](CC(=O)NCc3ccncc3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H22F7N3O4S/c27-19-3-6-21(7-4-19)41(39,40)36-20(14-23(37)35-15-16-9-11-34-12-10-16)5-1-17-13-18(2-8-22(17)36)24(38,25(28,29)30)26(31,32)33/h2-4,6-13,20,38H,1,5,14-15H2,(H,35,37)/t20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327523
PNG
((S)-2-(1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...)
Show SMILES OCc1ccccc1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H23F7N2O5S/c28-19-7-10-21(11-8-19)42(40,41)36-20(14-24(38)35-22-4-2-1-3-17(22)15-37)9-5-16-13-18(6-12-23(16)36)25(39,26(29,30)31)27(32,33)34/h1-4,6-8,10-13,20,37,39H,5,9,14-15H2,(H,35,38)/t20-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327631
PNG
(US9663469, 175)
Show SMILES COC(C)(C)CNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H27F7N2O5S/c1-22(2,39-3)14-33-21(35)13-18-8-4-15-12-16(23(36,24(27,28)29)25(30,31)32)5-11-20(15)34(18)40(37,38)19-9-6-17(26)7-10-19/h5-7,9-12,18,36H,4,8,13-14H2,1-3H3,(H,33,35)/t18-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327547
PNG
(US9663469, 86)
Show SMILES CCCN1CC(CC1=O)NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H28F7N3O5S/c1-2-11-36-15-19(13-24(36)39)35-23(38)14-20-7-3-16-12-17(25(40,26(29,30)31)27(32,33)34)4-10-22(16)37(20)43(41,42)21-8-5-18(28)6-9-21/h4-6,8-10,12,19-20,40H,2-3,7,11,13-15H2,1H3,(H,35,38)/t19?,20-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327503
PNG
(US9663469, 42)
Show SMILES OC(c1ccc2N([C@H](CC(=O)N3C[C@H]4OC(=O)O[C@H]4C3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H21F7N2O7S/c26-15-3-6-17(7-4-15)42(38,39)34-16(10-21(35)33-11-19-20(12-33)41-22(36)40-19)5-1-13-9-14(2-8-18(13)34)23(37,24(27,28)29)25(30,31)32/h2-4,6-9,16,19-20,37H,1,5,10-12H2/t16-,19-,20+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327524
PNG
(2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)CNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H30F7N3O6S/c29-18-3-10-22(11-4-18)45(43,44)38-20(14-24(40)36-15-25(41)37-19-5-8-21(39)9-6-19)7-1-16-13-17(2-12-23(16)38)26(42,27(30,31)32)28(33,34)35/h2-4,10-13,19-21,39,42H,1,5-9,14-15H2,(H,36,40)(H,37,41)/t19-,20-,21-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327621
PNG
(US9663469, 163)
Show SMILES OCC1CCN(CC1)C(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H27F7N2O5S/c27-19-3-6-21(7-4-19)41(39,40)35-20(14-23(37)34-11-9-16(15-36)10-12-34)5-1-17-13-18(2-8-22(17)35)24(38,25(28,29)30)26(31,32)33/h2-4,6-8,13,16,20,36,38H,1,5,9-12,14-15H2/t20-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327564
PNG
(US9663469, 103)
Show SMILES CC1[C@@H](COC1=O)NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H23F7N2O6S/c1-13-19(12-40-22(13)36)33-21(35)11-17-6-2-14-10-15(23(37,24(27,28)29)25(30,31)32)3-9-20(14)34(17)41(38,39)18-7-4-16(26)5-8-18/h3-5,7-10,13,17,19,37H,2,6,11-12H2,1H3,(H,33,35)/t13?,17-,19+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327588
PNG
(US9663469, 129)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)CC1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)c(F)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25F9N2O5S/c1-22(2,38)20(28)12-35-21(37)10-15-5-3-13-9-14(23(39,24(29,30)31)25(32,33)34)4-8-19(13)36(15)42(40,41)16-6-7-17(26)18(27)11-16/h4,6-9,11,15,20,38-39H,3,5,10,12H2,1-2H3,(H,35,37)/t15?,20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327480
PNG
(2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...)
Show SMILES CC1(CNC(=O)C[C@@H]2CCc3cc(ccc3N2S(=O)(=O)c2ccc(F)cc2)C(O)(C(F)(F)F)C(F)(F)F)CNC(=O)O1
Show InChI InChI=1S/C25H24F7N3O6S/c1-22(13-34-21(37)41-22)12-33-20(36)11-17-6-2-14-10-15(23(38,24(27,28)29)25(30,31)32)3-9-19(14)35(17)42(39,40)18-7-4-16(26)5-8-18/h3-5,7-10,17,38H,2,6,11-13H2,1H3,(H,33,36)(H,34,37)/t17-,22?/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327707
PNG
(US9663469, 254)
Show SMILES OC(c1ccc2N([C@H](CC(=O)N[C@H]3CCC[C@H]3C(=O)Nc3ccncc3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H29F7N4O5S/c32-20-6-9-23(10-7-20)48(46,47)42-22(8-4-18-16-19(5-11-26(18)42)29(45,30(33,34)35)31(36,37)38)17-27(43)41-25-3-1-2-24(25)28(44)40-21-12-14-39-15-13-21/h5-7,9-16,22,24-25,45H,1-4,8,17H2,(H,41,43)(H,39,40,44)/t22-,24+,25-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327556
PNG
(US9663469, 95)
Show SMILES OC(c1ccc2N([C@H](CC(=O)NC3CCOCC3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25F7N2O5S/c26-17-3-6-20(7-4-17)40(37,38)34-19(14-22(35)33-18-9-11-39-12-10-18)5-1-15-13-16(2-8-21(15)34)23(36,24(27,28)29)25(30,31)32/h2-4,6-8,13,18-19,36H,1,5,9-12,14H2,(H,33,35)/t19-/m0/s1
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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327563
PNG
(US9663469, 102 | US9663469, 120 | US9663469, 121)
Show SMILES O[C@@H]1COC[C@H]1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23F7N2O6S/c25-15-3-6-17(7-4-15)40(37,38)33-16(10-21(35)32-18-11-39-12-20(18)34)5-1-13-9-14(2-8-19(13)33)22(36,23(26,27)28)24(29,30)31/h2-4,6-9,16,18,20,34,36H,1,5,10-12H2,(H,32,35)/t16-,18+,20+/m0/s1
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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327649
PNG
(US9663469, 194)
Show SMILES OC(c1ccc2N([C@H](CC(=O)NCC3CCS(=O)(=O)C3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25F7N2O6S2/c26-18-3-6-20(7-4-18)42(39,40)34-19(12-22(35)33-13-15-9-10-41(37,38)14-15)5-1-16-11-17(2-8-21(16)34)23(36,24(27,28)29)25(30,31)32/h2-4,6-8,11,15,19,36H,1,5,9-10,12-14H2,(H,33,35)/t15?,19-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327508
PNG
(2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...)
Show SMILES CC1(O)CCN(C1)C(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25F7N2O5S/c1-22(36)10-11-33(14-22)21(35)13-18-6-2-15-12-16(23(37,24(27,28)29)25(30,31)32)3-9-20(15)34(18)40(38,39)19-7-4-17(26)5-8-19/h3-5,7-9,12,18,36-37H,2,6,10-11,13-14H2,1H3/t18-,22?/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327680
PNG
(US9663469, 227)
Show SMILES OC(c1ccc2N([C@H](CC(=O)N3CC4NC(=O)c5ccccc5C4C3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H26F7N3O5S/c32-19-7-10-21(11-8-19)47(45,46)41-20(9-5-17-13-18(6-12-26(17)41)29(44,30(33,34)35)31(36,37)38)14-27(42)40-15-24-22-3-1-2-4-23(22)28(43)39-25(24)16-40/h1-4,6-8,10-13,20,24-25,44H,5,9,14-16H2,(H,39,43)/t20-,24?,25?/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327705
PNG
(US9663469, 252)
Show SMILES OC[C@H](O)[C@H]1CCCCN1C(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H29F7N2O6S/c28-18-6-9-20(10-7-18)43(41,42)36-19(14-24(39)35-12-2-1-3-22(35)23(38)15-37)8-4-16-13-17(5-11-21(16)36)25(40,26(29,30)31)27(32,33)34/h5-7,9-11,13,19,22-23,37-38,40H,1-4,8,12,14-15H2/t19-,22+,23-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327449
PNG
(2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...)
Show SMILES OC(c1ccc2N([C@H](CC(=O)NCC3CNC(=O)O3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H22F7N3O6S/c25-15-3-6-18(7-4-15)41(38,39)34-16(10-20(35)32-11-17-12-33-21(36)40-17)5-1-13-9-14(2-8-19(13)34)22(37,23(26,27)28)24(29,30)31/h2-4,6-9,16-17,37H,1,5,10-12H2,(H,32,35)(H,33,36)/t16-,17?/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327745
PNG
((�) 2-(4-((4-fluorophenyl)sulfonyl)-7-(1,1,...)
Show SMILES CC(C)(O)CNC(=O)CC1CSc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H23F7N2O5S2/c1-20(2,34)12-31-19(33)10-15-11-38-18-9-13(21(35,22(25,26)27)23(28,29)30)3-8-17(18)32(15)39(36,37)16-6-4-14(24)5-7-16/h3-9,15,34-35H,10-12H2,1-2H3,(H,31,33)
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n/an/a 16.9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327677
PNG
(US9663469, 224)
Show SMILES OC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H28F7N3O5S/c32-21-7-10-24(11-8-21)47(45,46)41-23(15-28(43)40-22(17-42)14-19-16-39-26-4-2-1-3-25(19)26)9-5-18-13-20(6-12-27(18)41)29(44,30(33,34)35)31(36,37)38/h1-4,6-8,10-13,16,22-23,39,42,44H,5,9,14-15,17H2,(H,40,43)/t22-,23+/m1/s1
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n/an/a 16.9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327563
PNG
(US9663469, 102 | US9663469, 120 | US9663469, 121)
Show SMILES O[C@@H]1COC[C@H]1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23F7N2O6S/c25-15-3-6-17(7-4-15)40(37,38)33-16(10-21(35)32-18-11-39-12-20(18)34)5-1-13-9-14(2-8-19(13)33)22(36,23(26,27)28)24(29,30)31/h2-4,6-9,16,18,20,34,36H,1,5,10-12H2,(H,32,35)/t16-,18+,20+/m0/s1
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n/an/a 16.9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327628
PNG
(US9663469, 172)
Show SMILES NC(=O)CNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H20F7N3O5S/c23-14-3-6-16(7-4-14)38(36,37)32-15(10-19(34)31-11-18(30)33)5-1-12-9-13(2-8-17(12)32)20(35,21(24,25)26)22(27,28)29/h2-4,6-9,15,35H,1,5,10-11H2,(H2,30,33)(H,31,34)/t15-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327555
PNG
(BMT-095613 | US9663469, 94)
Show SMILES OC(c1ccc2N([C@H](CC(=O)NC3CCOC3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23F7N2O5S/c25-16-3-6-19(7-4-16)39(36,37)33-18(12-21(34)32-17-9-10-38-13-17)5-1-14-11-15(2-8-20(14)33)22(35,23(26,27)28)24(29,30)31/h2-4,6-8,11,17-18,35H,1,5,9-10,12-13H2,(H,32,34)/t17?,18-/m0/s1
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n/an/a 17.1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327474
PNG
(2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...)
Show SMILES CC1(CNC(=O)C[C@@H]2CCc3cc(ccc3N2S(=O)(=O)c2ccc(F)cc2)C(O)(C(F)(F)F)C(F)(F)F)COC(=O)N1
Show InChI InChI=1S/C25H24F7N3O6S/c1-22(13-41-21(37)34-22)12-33-20(36)11-17-6-2-14-10-15(23(38,24(27,28)29)25(30,31)32)3-9-19(14)35(17)42(39,40)18-7-4-16(26)5-8-18/h3-5,7-10,17,38H,2,6,11-13H2,1H3,(H,33,36)(H,34,37)/t17-,22?/m0/s1
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n/an/a 17.4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327713
PNG
(US9663469, 260)
Show SMILES OC(c1ccc2N([C@H](CC(=O)NCC(=O)N3CCOCC3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H26F7N3O6S/c27-18-3-6-20(7-4-18)43(40,41)36-19(14-22(37)34-15-23(38)35-9-11-42-12-10-35)5-1-16-13-17(2-8-21(16)36)24(39,25(28,29)30)26(31,32)33/h2-4,6-8,13,19,39H,1,5,9-12,14-15H2,(H,34,37)/t19-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327734
PNG
(US9663469, 281 | US9663469, 282)
Show SMILES CC1(C)[C@@H](O)[C@H](NC(=O)C[C@@H]2CCc3cc(ccc3N2S(=O)(=O)c2ccc(F)cc2)C(O)(C(F)(F)F)C(F)(F)F)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C31H28F7N3O7S/c1-28(2)23-11-8-20(41(45)46)14-22(23)26(27(28)43)39-25(42)15-19-7-3-16-13-17(29(44,30(33,34)35)31(36,37)38)4-12-24(16)40(19)49(47,48)21-9-5-18(32)6-10-21/h4-6,8-14,19,26-27,43-44H,3,7,15H2,1-2H3,(H,39,42)/t19-,26+,27-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327678
PNG
(US9663469, 225)
Show SMILES OC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H27F7N2O5S/c30-21-8-11-24(12-9-21)44(42,43)38-23(16-26(40)37-22(17-39)14-18-4-2-1-3-5-18)10-6-19-15-20(7-13-25(19)38)27(41,28(31,32)33)29(34,35)36/h1-5,7-9,11-13,15,22-23,39,41H,6,10,14,16-17H2,(H,37,40)/t22-,23-/m0/s1
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n/an/a 17.7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327674
PNG
(US9663469, 221)
Show SMILES OC(c1ccc2N([C@H](CC(=O)N[C@H]3CCC[C@H]3n3ccnc3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H27F7N4O4S/c29-19-6-9-21(10-7-19)44(42,43)39-20(15-25(40)37-22-2-1-3-24(22)38-13-12-36-16-38)8-4-17-14-18(5-11-23(17)39)26(41,27(30,31)32)28(33,34)35/h5-7,9-14,16,20,22,24,41H,1-4,8,15H2,(H,37,40)/t20-,22-,24+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327623
PNG
(US9663469, 165)
Show SMILES OC(c1ccc2N([C@H](CC(=O)Nc3ccccc3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H21F7N2O4S/c27-18-8-11-21(12-9-18)40(38,39)35-20(15-23(36)34-19-4-2-1-3-5-19)10-6-16-14-17(7-13-22(16)35)24(37,25(28,29)30)26(31,32)33/h1-5,7-9,11-14,20,37H,6,10,15H2,(H,34,36)/t20-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327689
PNG
(US9663469, 236)
Show SMILES OC(c1ccc2N([C@H](CC(=O)N[C@H]3CCC[C@H]3c3ccc(F)cc3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H28F8N2O4S/c32-21-8-4-18(5-9-21)25-2-1-3-26(25)40-28(42)17-23-12-6-19-16-20(29(43,30(34,35)36)31(37,38)39)7-15-27(19)41(23)46(44,45)24-13-10-22(33)11-14-24/h4-5,7-11,13-16,23,25-26,43H,1-3,6,12,17H2,(H,40,42)/t23-,25-,26-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327642
PNG
(US9663469, 187)
Show SMILES OC(c1ccc2N([C@H](CC(=O)NCC#C)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H19F7N2O4S/c1-2-11-31-20(33)13-17-7-3-14-12-15(21(34,22(25,26)27)23(28,29)30)4-10-19(14)32(17)37(35,36)18-8-5-16(24)6-9-18/h1,4-6,8-10,12,17,34H,3,7,11,13H2,(H,31,33)/t17-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327639
PNG
(US9663469, 184)
Show SMILES OC1CCC(CC1)NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H27F7N2O5S/c27-17-3-10-21(11-4-17)41(39,40)35-19(14-23(37)34-18-5-8-20(36)9-6-18)7-1-15-13-16(2-12-22(15)35)24(38,25(28,29)30)26(31,32)33/h2-4,10-13,18-20,36,38H,1,5-9,14H2,(H,34,37)/t18?,19-,20?/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327507
PNG
(2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...)
Show SMILES OC(c1ccc2N([C@H](CC(=O)N[C@@H]3COC(=O)C3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21F7N2O6S/c25-15-3-6-18(7-4-15)40(37,38)33-17(11-20(34)32-16-10-21(35)39-12-16)5-1-13-9-14(2-8-19(13)33)22(36,23(26,27)28)24(29,30)31/h2-4,6-9,16-17,36H,1,5,10-12H2,(H,32,34)/t16-,17-/m0/s1
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n/an/a 19.2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327552
PNG
(US9663469, 91)
Show SMILES CC(=O)N1C[C@@H](CO)[C@@H](C1)NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H28F7N3O6S/c1-15(39)36-12-17(14-38)22(13-36)35-24(40)11-20-6-2-16-10-18(25(41,26(29,30)31)27(32,33)34)3-9-23(16)37(20)44(42,43)21-7-4-19(28)5-8-21/h3-5,7-10,17,20,22,38,41H,2,6,11-14H2,1H3,(H,35,40)/t17-,20-,22+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327511
PNG
((S)-2-(1-((4-fluorophenyl)sulfonyl)-6-(1,1,1,3,3,3...)
Show SMILES OC1CN(C1)C(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F7N2O5S/c24-15-3-6-18(7-4-15)38(36,37)32-16(10-20(34)31-11-17(33)12-31)5-1-13-9-14(2-8-19(13)32)21(35,22(25,26)27)23(28,29)30/h2-4,6-9,16-17,33,35H,1,5,10-12H2/t16-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327638
PNG
(US9663469, 183)
Show SMILES OCCNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H21F7N2O5S/c23-15-3-6-17(7-4-15)37(35,36)31-16(12-19(33)30-9-10-32)5-1-13-11-14(2-8-18(13)31)20(34,21(24,25)26)22(27,28)29/h2-4,6-8,11,16,32,34H,1,5,9-10,12H2,(H,30,33)/t16-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327662
PNG
(US9663469, 209)
Show SMILES OC(c1ccc2N([C@H](CC(=O)NCC#N)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18F7N3O4S/c23-15-3-6-17(7-4-15)37(35,36)32-16(12-19(33)31-10-9-30)5-1-13-11-14(2-8-18(13)32)20(34,21(24,25)26)22(27,28)29/h2-4,6-8,11,16,34H,1,5,10,12H2,(H,31,33)/t16-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327776
PNG
(US9663469, 324)
Show SMILES N[C@@H](CNC(N)=O)C(=O)NC[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H24F7N5O5S/c24-14-3-6-16(7-4-14)41(39,40)35-15(10-33-19(36)17(31)11-34-20(32)37)5-1-12-9-13(2-8-18(12)35)21(38,22(25,26)27)23(28,29)30/h2-4,6-9,15,17,38H,1,5,10-11,31H2,(H,33,36)(H3,32,34,37)/t15-,17-/m0/s1
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Bristol-Myers Squibb Company

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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327773
PNG
(US9663469, 321)
Show SMILES NC1(COC1)C(=O)NC[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F7N3O5S/c24-15-3-6-17(7-4-15)39(36,37)33-16(10-32-19(34)20(31)11-38-12-20)5-1-13-9-14(2-8-18(13)33)21(35,22(25,26)27)23(28,29)30/h2-4,6-9,16,35H,1,5,10-12,31H2,(H,32,34)/t16-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327772
PNG
(US9663469, 320)
Show SMILES NC(C(=O)NC[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H19F10N3O4S/c23-13-3-6-15(7-4-13)40(38,39)35-14(10-34-18(36)17(33)20(24,25)26)5-1-11-9-12(2-8-16(11)35)19(37,21(27,28)29)22(30,31)32/h2-4,6-9,14,17,37H,1,5,10,33H2,(H,34,36)/t14-,17?/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327676
PNG
(US9663469, 223)
Show SMILES OC[C@H](Cc1ccc(F)cc1)NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H26F8N2O5S/c30-20-5-1-17(2-6-20)13-22(16-40)38-26(41)15-23-9-3-18-14-19(27(42,28(32,33)34)29(35,36)37)4-12-25(18)39(23)45(43,44)24-10-7-21(31)8-11-24/h1-2,4-8,10-12,14,22-23,40,42H,3,9,13,15-16H2,(H,38,41)/t22-,23-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327553
PNG
(US9663469, 92)
Show SMILES OC(c1ccc2N([C@H](CC(=O)N[C@H]3COC(=O)C3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21F7N2O6S/c25-15-3-6-18(7-4-15)40(37,38)33-17(11-20(34)32-16-10-21(35)39-12-16)5-1-13-9-14(2-8-19(13)33)22(36,23(26,27)28)24(29,30)31/h2-4,6-9,16-17,36H,1,5,10-12H2,(H,32,34)/t16-,17+/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327504
PNG
(Step A: 5-((dibenzylamino)methyl)-3-(2-hydroxy-2-m...)
Show SMILES CC(C)(O)CN1C(=O)NC(C)(CN(Cc2ccccc2)Cc2ccccc2)C1=O
Show InChI InChI=1S/C23H29N3O3/c1-22(2,29)16-26-20(27)23(3,24-21(26)28)17-25(14-18-10-6-4-7-11-18)15-19-12-8-5-9-13-19/h4-13,29H,14-17H2,1-3H3,(H,24,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327497
PNG
(US9663469, 37B)
Show SMILES CC1(C)OC(=O)CC1NC(=O)C[C@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H25F7N2O6S/c1-23(2)20(13-22(37)41-23)34-21(36)12-17-7-3-14-11-15(24(38,25(28,29)30)26(31,32)33)4-10-19(14)35(17)42(39,40)18-8-5-16(27)6-9-18/h4-6,8-11,17,20,38H,3,7,12-13H2,1-2H3,(H,34,36)/t17-,20?/m1/s1
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327643
PNG
(US9663469, 188)
Show SMILES OC(c1ccc2N([C@H](CC(=O)NC3C[C@@H]3c3ccccc3)CCc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H25F7N2O4S/c30-20-8-11-22(12-9-20)43(41,42)38-21(15-26(39)37-24-16-23(24)17-4-2-1-3-5-17)10-6-18-14-19(7-13-25(18)38)27(40,28(31,32)33)29(34,35)36/h1-5,7-9,11-14,21,23-24,40H,6,10,15-16H2,(H,37,39)/t21-,23+,24?/m0/s1
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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327541
PNG
(US9663469, 80)
Show SMILES CCOC(=O)[C@H]1C2CCC(C2)[C@H]1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H31F7N2O6S/c1-2-45-27(41)25-17-3-4-18(13-17)26(25)38-24(40)15-21-9-5-16-14-19(28(42,29(32,33)34)30(35,36)37)6-12-23(16)39(21)46(43,44)22-10-7-20(31)8-11-22/h6-8,10-12,14,17-18,21,25-26,42H,2-5,9,13,15H2,1H3,(H,38,40)/t17?,18?,21-,25-,26+/m0/s1
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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327526
PNG
((S)-1-(2-((S)-1-((4-fluorophenyl)sulfonyl)-6-(1,1,...)
Show SMILES NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H24F7N3O5S/c26-16-5-8-18(9-6-16)41(39,40)35-17(13-21(36)34-11-1-2-20(34)22(33)37)7-3-14-12-15(4-10-19(14)35)23(38,24(27,28)29)25(30,31)32/h4-6,8-10,12,17,20,38H,1-3,7,11,13H2,(H2,33,37)/t17-,20-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327723
PNG
(US9663469, 270)
Show SMILES O[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H27F7N2O5S/c27-17-7-10-19(11-8-17)41(39,40)35-18(14-23(37)34-20-3-1-2-4-22(20)36)9-5-15-13-16(6-12-21(15)35)24(38,25(28,29)30)26(31,32)33/h6-8,10-13,18,20,22,36,38H,1-5,9,14H2,(H,34,37)/t18-,20+,22+/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327473
PNG
(N—((S)-2-fluoro-3-hydroxy-3-methylbutyl)-2-((...)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H26F8N2O5S/c1-22(2,37)20(27)13-34-21(36)12-17-7-3-14-11-15(23(38,24(28,29)30)25(31,32)33)4-10-19(14)35(17)41(39,40)18-8-5-16(26)6-9-18/h4-6,8-11,17,20,37-38H,3,7,12-13H2,1-2H3,(H,34,36)/t17-,20+/m0/s1
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM327632
PNG
(US9663469, 176)
Show SMILES COC(=O)CNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F7N2O6S/c1-38-20(34)12-31-19(33)11-16-6-2-13-10-14(21(35,22(25,26)27)23(28,29)30)3-9-18(13)32(16)39(36,37)17-7-4-15(24)5-8-17/h3-5,7-10,16,35H,2,6,11-12H2,1H3,(H,31,33)/t16-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol using a scintillation proximity assay (SPA) ...

US Patent US9663469 (2017)

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