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Patent code US9771320

Compile Data Set for Download or QSAR

Found 334 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))
BDBM341783
PNG
((1R,3s,5S)-3-(4-(2-((2,6-difluorobenzyl)oxy)-1,1,1...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]1(C[C@H]2O[C@H]2C1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H19F9O4S/c28-17-8-10-18(11-9-17)41(37,38)24(12-22-23(13-24)40-22)15-4-6-16(7-5-15)25(26(31,32)33,27(34,35)36)39-14-19-20(29)2-1-3-21(19)30/h1-11,22-23H,12-14H2/t22-,23+,24-
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341905
PNG
(US9771320, Example 139 | US9771320, Example 141)
Show SMILES O[C@H]1CC[C@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H21F9O4S/c28-18-8-10-20(11-9-18)41(38,39)24(13-12-19(37)14-24)16-4-6-17(7-5-16)25(26(31,32)33,27(34,35)36)40-15-21-22(29)2-1-3-23(21)30/h1-11,19,37H,12-15H2/t19-,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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341804
PNG
((3-(4-(2-((2,6-difluorobenzyl)oxy)-1,1,1,3,3,3-hex...)
Show SMILES OCC1CC(C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H21F9O4S/c28-19-8-10-20(11-9-19)41(38,39)24(12-16(13-24)14-37)17-4-6-18(7-5-17)25(26(31,32)33,27(34,35)36)40-15-21-22(29)2-1-3-23(21)30/h1-11,16,37H,12-15H2
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341782
PNG
((1R,3s,5S)-3-(4-(2-(benzyloxy)-1,1,1,3,3,3-hexaflu...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]1(C[C@H]2O[C@H]2C1)c1ccc(cc1)C(OCc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H21F7O4S/c28-20-10-12-21(13-11-20)39(35,36)24(14-22-23(15-24)38-22)18-6-8-19(9-7-18)25(26(29,30)31,27(32,33)34)37-16-17-4-2-1-3-5-17/h1-13,22-23H,14-16H2/t22-,23+,24-
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341862
PNG
(US9771320, Example 96)
Show SMILES COc1ccc(cc1COC(c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C28H24F7NO6S/c1-41-24-13-10-22(36(37)38)16-18(24)17-42-26(27(30,31)32,28(33,34)35)20-6-4-19(5-7-20)25(14-2-3-15-25)43(39,40)23-11-8-21(29)9-12-23/h4-13,16H,2-3,14-15,17H2,1H3
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341826
PNG
(US9771320, Example 60)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCc1ccccc1C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H22F7NO3S/c29-23-11-13-24(14-12-23)40(37,38)25(15-3-4-16-25)21-7-9-22(10-8-21)26(27(30,31)32,28(33,34)35)39-18-20-6-2-1-5-19(20)17-36/h1-2,5-14H,3-4,15-16,18H2
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341905
PNG
(US9771320, Example 139 | US9771320, Example 141)
Show SMILES O[C@H]1CC[C@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H21F9O4S/c28-18-8-10-20(11-9-18)41(38,39)24(13-12-19(37)14-24)16-4-6-17(7-5-16)25(26(31,32)33,27(34,35)36)40-15-21-22(29)2-1-3-23(21)30/h1-11,19,37H,12-15H2/t19-,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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341928
PNG
(US9771320, Example 162)
Show SMILES CC1(O)CCN(CC1)C(=O)[C@H]1CC[C@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C34H32F9NO5S/c1-30(46)15-17-44(18-16-30)29(45)21-13-14-31(19-21,50(47,48)25-11-9-24(35)10-12-25)22-5-7-23(8-6-22)32(33(38,39)40,34(41,42)43)49-20-26-27(36)3-2-4-28(26)37/h2-12,21,46H,13-20H2,1H3/t21-,31-/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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341844
PNG
(US9771320, Example 78)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H21F9O3S/c28-20-9-11-22(12-10-20)40(37,38)24(13-1-2-14-24)18-4-6-19(7-5-18)25(26(31,32)33,27(34,35)36)39-16-17-3-8-21(29)15-23(17)30/h3-12,15H,1-2,13-14,16H2
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341935
PNG
(US9771320, Example 169)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CC[C@H](C1)C(=O)N1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H28F9NO5S/c33-23-8-10-24(11-9-23)48(44,45)29(13-12-20(18-29)28(43)42-14-16-46-17-15-42)21-4-6-22(7-5-21)30(31(36,37)38,32(39,40)41)47-19-25-26(34)2-1-3-27(25)35/h1-11,20H,12-19H2/t20-,29+/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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM342071
PNG
(US9771320, Example 305)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]1(C[C@@H](C1)NC(=O)Cc1ccncc1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H20F8N2O3S/c27-19-5-7-21(8-6-19)40(38,39)23(14-20(15-23)36-22(37)13-16-9-11-35-12-10-16)17-1-3-18(4-2-17)24(28,25(29,30)31)26(32,33)34/h1-12,20H,13-15H2,(H,36,37)/t20-,23+
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341802
PNG
(1-{2-[(2,6-difluorophenyl)methoxy]-1,1,1,3,3,3-hex...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H19F9O3S/c27-18-9-11-19(12-10-18)39(36,37)23(13-2-14-23)16-5-7-17(8-6-16)24(25(30,31)32,26(33,34)35)38-15-20-21(28)3-1-4-22(20)29/h1,3-12H,2,13-15H2
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341863
PNG
(US9771320, Example 97)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H21F9O3S/c28-19-10-12-20(13-11-19)40(37,38)24(14-1-2-15-24)17-6-8-18(9-7-17)25(26(31,32)33,27(34,35)36)39-16-21-22(29)4-3-5-23(21)30/h3-13H,1-2,14-16H2
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341975
PNG
(US9771320, Example 209)
Show SMILES CNC(=O)[C@H]1C[C@@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H22F9NO4S/c1-38-24(39)16-13-25(14-16,43(40,41)20-11-9-19(29)10-12-20)17-5-7-18(8-6-17)26(27(32,33)34,28(35,36)37)42-15-21-22(30)3-2-4-23(21)31/h2-12,16H,13-15H2,1H3,(H,38,39)/t16-,25+
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341824
PNG
(US9771320, Example 58)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCc1ccccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H22F8O3S/c28-21-11-13-22(14-12-21)39(36,37)24(15-3-4-16-24)19-7-9-20(10-8-19)25(26(30,31)32,27(33,34)35)38-17-18-5-1-2-6-23(18)29/h1-2,5-14H,3-4,15-17H2
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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341834
PNG
(US9771320, Example 68)
Show SMILES Nc1cccc(COC(c2ccc(cc2)C2(CCCC2)S(=O)(=O)c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C27H24F7NO3S/c28-21-10-12-23(13-11-21)39(36,37)24(14-1-2-15-24)19-6-8-20(9-7-19)25(26(29,30)31,27(32,33)34)38-17-18-4-3-5-22(35)16-18/h3-13,16H,1-2,14-15,17,35H2
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341906
PNG
(US9771320, Example 140)
Show SMILES O[C@@H]1CC[C@@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H21F9O4S/c28-18-8-10-20(11-9-18)41(38,39)24(13-12-19(37)14-24)16-4-6-17(7-5-16)25(26(31,32)33,27(34,35)36)40-15-21-22(29)2-1-3-23(21)30/h1-11,19,37H,12-15H2/t19-,24-/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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM340691
PNG
(1,1,1,3,3,3-hexafluoro-2-(4-(1-((4-fluorophenyl)su...)
Show SMILES OC(c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F7O3S/c21-15-7-9-16(10-8-15)31(29,30)17(11-1-2-12-17)13-3-5-14(6-4-13)18(28,19(22,23)24)20(25,26)27/h3-10,28H,1-2,11-12H2
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM342014
PNG
(US9771320, Example 248)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CC(C1)NC(=O)C1(CC1)C#N)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H23F9N2O4S/c32-20-8-10-22(11-9-20)47(44,45)28(14-21(15-28)42-26(43)27(17-41)12-13-27)18-4-6-19(7-5-18)29(30(35,36)37,31(38,39)40)46-16-23-24(33)2-1-3-25(23)34/h1-11,21H,12-16H2,(H,42,43)
PDB

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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM342077
PNG
(US9771320, Example 311)
Show SMILES OC(c1ccc(cc1)[C@]1(C[C@@H](C1)C(=O)N1CCC(C1)c1ccncc1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H25F7N2O4S/c30-23-5-7-24(8-6-23)43(41,42)26(21-1-3-22(4-2-21)27(40,28(31,32)33)29(34,35)36)15-20(16-26)25(39)38-14-11-19(17-38)18-9-12-37-13-10-18/h1-10,12-13,19-20,40H,11,14-17H2/t19?,20-,26+
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341803
PNG
(1,3-difluoro-2-(((1,1,1,3,3,3-hexafluoro-2-(4-(1-(...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CC(=C)C1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H19F9O3S/c1-16-13-24(14-16,40(37,38)20-11-9-19(28)10-12-20)17-5-7-18(8-6-17)25(26(31,32)33,27(34,35)36)39-15-21-22(29)3-2-4-23(21)30/h2-12H,1,13-15H2
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341992
PNG
(US9771320, Example 226)
Show SMILES CC1(O)CCN(CC1)C(=O)[C@H]1C[C@@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C33H30F9NO5S/c1-29(45)13-15-43(16-14-29)28(44)20-17-30(18-20,49(46,47)24-11-9-23(34)10-12-24)21-5-7-22(8-6-21)31(32(37,38)39,33(40,41)42)48-19-25-26(35)3-2-4-27(25)36/h2-12,20,45H,13-19H2,1H3/t20-,30+
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341944
PNG
(US9771320, Example 178)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CC[C@@H](C1)C(=O)NC1CCOCC1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H25F8NO4S/c27-19-5-7-21(8-6-19)40(37,38)23(12-9-16(15-23)22(36)35-20-10-13-39-14-11-20)17-1-3-18(4-2-17)24(28,25(29,30)31)26(32,33)34/h1-8,16,20H,9-15H2,(H,35,36)/t16-,23-/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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341986
PNG
(US9771320, Example 220)
Show SMILES OC1CN(C1)C(=O)[C@H]1C[C@@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H24F9NO5S/c31-20-8-10-22(11-9-20)46(43,44)27(12-17(13-27)26(42)40-14-21(41)15-40)18-4-6-19(7-5-18)28(29(34,35)36,30(37,38)39)45-16-23-24(32)2-1-3-25(23)33/h1-11,17,21,41H,12-16H2/t17-,27+
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM342011
PNG
(US9771320, Example 245 | US9771320, Example 246)
Show SMILES CC(=O)NC1CC(C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H22F9NO4S/c1-16(39)38-20-13-25(14-20,43(40,41)21-11-9-19(29)10-12-21)17-5-7-18(8-6-17)26(27(32,33)34,28(35,36)37)42-15-22-23(30)3-2-4-24(22)31/h2-12,20H,13-15H2,1H3,(H,38,39)
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM342097
PNG
(US9771320, Example 331)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CC[C@H](C1)NC(=O)Cc1ccncc1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H22F8N2O3S/c28-20-5-7-22(8-6-20)41(39,40)24(12-9-21(16-24)37-23(38)15-17-10-13-36-14-11-17)18-1-3-19(4-2-18)25(29,26(30,31)32)27(33,34)35/h1-8,10-11,13-14,21H,9,12,15-16H2,(H,37,38)/t21-,24+/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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341981
PNG
(US9771320, Example 215)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]1(C[C@@H](C1)C(=O)NCC1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H30F9NO5S/c34-24-8-10-25(11-9-24)49(45,46)30(16-21(17-30)29(44)43-18-20-12-14-47-15-13-20)22-4-6-23(7-5-22)31(32(37,38)39,33(40,41)42)48-19-26-27(35)2-1-3-28(26)36/h1-11,20-21H,12-19H2,(H,43,44)/t21-,30+
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341781
PNG
(1,3-difluoro-2-(((1,1,1,3,3,3-hexafluoro-2-(4-(1-(...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CC=CC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H19F9O3S/c28-19-10-12-20(13-11-19)40(37,38)24(14-1-2-15-24)17-6-8-18(9-7-17)25(26(31,32)33,27(34,35)36)39-16-21-22(29)4-3-5-23(21)30/h1-13H,14-16H2
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM342028
PNG
(US9771320, Example 262)
Show SMILES COC(=O)NC1CC(C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H22F9NO5S/c1-42-24(39)38-19-13-25(14-19,44(40,41)20-11-9-18(29)10-12-20)16-5-7-17(8-6-16)26(27(32,33)34,28(35,36)37)43-15-21-22(30)3-2-4-23(21)31/h2-12,19H,13-15H2,1H3,(H,38,39)
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341987
PNG
(US9771320, Example 221)
Show SMILES OC(=O)C1CN(C1)C(=O)[C@H]1C[C@@](C1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C31H24F9NO6S/c32-21-8-10-22(11-9-21)48(45,46)28(12-17(13-28)26(42)41-14-18(15-41)27(43)44)19-4-6-20(7-5-19)29(30(35,36)37,31(38,39)40)47-16-23-24(33)2-1-3-25(23)34/h1-11,17-18H,12-16H2,(H,43,44)/t17-,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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341779
PNG
((1S,3S)-3-((4-fluorophenyl)sulfonyl)-3-(4-(1,1,1,3...)
Show SMILES O[C@@H]1CC[C@](C1)(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H17F7O4S/c21-14-5-7-16(8-6-14)32(30,31)17(10-9-15(28)11-17)12-1-3-13(4-2-12)18(29,19(22,23)24)20(25,26)27/h1-8,15,28-29H,9-11H2/t15-,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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341962
PNG
(US9771320, Example 196 | US9771320, Example 197)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCC(C1)NC(=O)C1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H30F9NO5S/c34-23-8-10-25(11-9-23)49(45,46)30(15-12-24(18-30)43-29(44)20-13-16-47-17-14-20)21-4-6-22(7-5-21)31(32(37,38)39,33(40,41)42)48-19-26-27(35)2-1-3-28(26)36/h1-11,20,24H,12-19H2,(H,43,44)
PDB

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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM342026
PNG
(US9771320, Example 260 | US9771320, Example 261)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CC(C1)NC(=O)C1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H28F9NO5S/c33-22-8-10-24(11-9-22)48(44,45)29(16-23(17-29)42-28(43)19-12-14-46-15-13-19)20-4-6-21(7-5-20)30(31(36,37)38,32(39,40)41)47-18-25-26(34)2-1-3-27(25)35/h1-11,19,23H,12-18H2,(H,42,43)
PDB

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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341936
PNG
(US9771320, Example 170)
Show SMILES CC1(O)CCN(CC1)C(=O)[C@@H]1CC[C@](C1)(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F7NO5S/c1-23(37)12-14-35(15-13-23)22(36)17-10-11-24(16-17,41(39,40)21-8-6-20(28)7-9-21)18-2-4-19(5-3-18)25(38,26(29,30)31)27(32,33)34/h2-9,17,37-38H,10-16H2,1H3/t17-,24+/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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM340688
PNG
(1-(2-(benzyloxy)-1,1,1,3,3,3-hexafluoropropan-2-yl...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H23F7O3S/c28-22-12-14-23(15-13-22)38(35,36)24(16-4-5-17-24)20-8-10-21(11-9-20)25(26(29,30)31,27(32,33)34)37-18-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-18H2
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341853
PNG
(US9771320, Example 87)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCc1cc(F)ccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H21F9O3S/c28-20-7-10-22(11-8-20)40(37,38)24(13-1-2-14-24)18-3-5-19(6-4-18)25(26(31,32)33,27(34,35)36)39-16-17-15-21(29)9-12-23(17)30/h3-12,15H,1-2,13-14,16H2
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341920
PNG
(US9771320, Example 154)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CC[C@@H](C1)C(=O)NC1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H30F9NO5S/c34-23-8-10-25(11-9-23)49(45,46)30(15-12-20(18-30)29(44)43-24-13-16-47-17-14-24)21-4-6-22(7-5-21)31(32(37,38)39,33(40,41)42)48-19-26-27(35)2-1-3-28(26)36/h1-11,20,24H,12-19H2,(H,43,44)/t20-,30-/m0/s1
PDB

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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341945
PNG
(US9771320, Example 179)
Show SMILES CCN(CC)C(=O)[C@H]1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H25F8NO3S/c1-3-34(4-2)21(35)16-13-14-22(15-16,38(36,37)20-11-9-19(26)10-12-20)17-5-7-18(8-6-17)23(27,24(28,29)30)25(31,32)33/h5-12,16H,3-4,13-15H2,1-2H3/t16-,22-/m0/s1
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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM342098
PNG
(US9771320, Example 332)
Show SMILES OCC(=O)N[C@@H]1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H19F8NO4S/c23-15-5-7-17(8-6-15)36(34,35)19(10-9-16(11-19)31-18(33)12-32)13-1-3-14(4-2-13)20(24,21(25,26)27)22(28,29)30/h1-8,16,32H,9-12H2,(H,31,33)/t16-,19+/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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341814
PNG
(US9771320, Example 48)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCC=C)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F7O3S/c1-2-15-33-21(22(25,26)27,23(28,29)30)17-7-5-16(6-8-17)20(13-3-4-14-20)34(31,32)19-11-9-18(24)10-12-19/h2,5-12H,1,3-4,13-15H2
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM342085
PNG
(US9771320, Example 319)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]1(C[C@@H](C1)C(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H23F8N3O5S/c28-18-5-7-19(8-6-18)44(42,43)24(16-1-3-17(4-2-16)25(29,26(30,31)32)27(33,34)35)13-15(14-24)20(39)38-11-9-23(10-12-38)21(40)36-22(41)37-23/h1-8,15H,9-14H2,(H2,36,37,40,41)/t15-,24+
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341823
PNG
(US9771320, Example 57)
Show SMILES Cc1ccccc1COC(c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H25F7O3S/c1-19-6-2-3-7-20(19)18-38-26(27(30,31)32,28(33,34)35)22-10-8-21(9-11-22)25(16-4-5-17-25)39(36,37)24-14-12-23(29)13-15-24/h2-3,6-15H,4-5,16-18H2,1H3
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341860
PNG
(US9771320, Example 94)
Show SMILES COc1ccc(F)cc1COC(c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H24F8O4S/c1-39-24-13-10-22(30)16-18(24)17-40-26(27(31,32)33,28(34,35)36)20-6-4-19(5-7-20)25(14-2-3-15-25)41(37,38)23-11-8-21(29)9-12-23/h4-13,16H,2-3,14-15,17H2,1H3
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341864
PNG
(US9771320, Example 98)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCCC1)c1ccc(cc1)C(OCc1c(Cl)cccc1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H21Cl2F7O3S/c28-22-4-3-5-23(29)21(22)16-39-25(26(31,32)33,27(34,35)36)18-8-6-17(7-9-18)24(14-1-2-15-24)40(37,38)20-12-10-19(30)11-13-20/h3-13H,1-2,14-16H2
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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341934
PNG
(US9771320, Example 168)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CC[C@@H](C1)C(=O)N1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H28F9NO5S/c33-23-8-10-24(11-9-23)48(44,45)29(13-12-20(18-29)28(43)42-14-16-46-17-15-42)21-4-6-22(7-5-21)30(31(36,37)38,32(39,40)41)47-19-25-26(34)2-1-3-27(25)35/h1-11,20H,12-19H2/t20-,29-/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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341911
PNG
(US9771320, Example 145)
Show SMILES Cc1noc(C)c1COC(c1ccc(cc1)[C@@]1(CC[C@H](O)C1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F7NO5S/c1-15-22(16(2)39-34-15)14-38-24(25(28,29)30,26(31,32)33)18-5-3-17(4-6-18)23(12-11-20(35)13-23)40(36,37)21-9-7-19(27)8-10-21/h3-10,20,35H,11-14H2,1-2H3/t20-,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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341954
PNG
(US9771320, Example 188 | US9771320, Example 189)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCC(C1)N1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H28F9NO4S/c32-22-8-10-24(11-9-22)46(42,43)28(13-12-23(18-28)41-14-16-44-17-15-41)20-4-6-21(7-5-20)29(30(35,36)37,31(38,39)40)45-19-25-26(33)2-1-3-27(25)34/h1-11,23H,12-19H2
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US Patent


Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341885
PNG
(US9771320, Example 119)
Show SMILES Cc1noc(C)c1COC(c1ccc(cc1)C1(CCCC1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F7NO4S/c1-16-22(17(2)38-34-16)15-37-24(25(28,29)30,26(31,32)33)19-7-5-18(6-8-19)23(13-3-4-14-23)39(35,36)21-11-9-20(27)10-12-21/h5-12H,3-4,13-15H2,1-2H3
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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341988
PNG
(US9771320, Example 222)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@@]1(C[C@@H](C1)C(=O)N1CC2CCC(C1)O2)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H28F9NO5S/c34-22-8-12-25(13-9-22)49(45,46)30(14-19(15-30)29(44)43-16-23-10-11-24(17-43)48-23)20-4-6-21(7-5-20)31(32(37,38)39,33(40,41)42)47-18-26-27(35)2-1-3-28(26)36/h1-9,12-13,19,23-24H,10-11,14-18H2/t19-,23?,24?,30+
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Assay Description
The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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


(Homo sapiens (Human))
BDBM341785
PNG
((1R,2S,4s)-4-((4-fluorophenyl)sulfonyl)-4-(4-(1,1,...)
Show SMILES O[C@H]1C[C@](C[C@H]1O)(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C20H17F7O5S/c21-13-5-7-14(8-6-13)33(31,32)17(9-15(28)16(29)10-17)11-1-3-12(4-2-11)18(30,19(22,23)24)20(25,26)27/h1-8,15-16,28-30H,9-10H2/t15-,16+,17-
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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 (Perkin Elmer NET674250UC) using a scintilla...


US Patent US9771320 (2017)

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