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Patent code US9458171

Compile Data Set for Download or QSAR

Found 572 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))
BDBM253270
PNG
(US9458171, 230)
Show SMILES OC(=O)[C@H]1CCN(C1)C(=O)N1CC[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/C32H27F9N2O6S/c33-22-8-10-23(11-9-22)50(47,48)29(13-15-43(18-29)28(46)42-14-12-19(16-42)27(44)45)20-4-6-21(7-5-20)30(31(36,37)38,32(39,40)41)49-17-24-25(34)2-1-3-26(24)35/h1-11,19H,12-18H2,(H,44,45)/t19-,29-/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 scintill...


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


(Homo sapiens (Human))
BDBM253311
PNG
(US9458171, 271)
Show SMILES CN1CCN(CC1)C(=O)N1CCC(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/C32H30F9N3O4S/c1-42-15-17-43(18-16-42)28(45)44-14-13-29(20-44,49(46,47)24-11-9-23(33)10-12-24)21-5-7-22(8-6-21)30(31(36,37)38,32(39,40)41)48-19-25-26(34)3-2-4-27(25)35/h2-12H,13-20H2,1H3
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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 scintill...


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


(Homo sapiens (Human))
BDBM253157
PNG
(US9458171, 117)
Show SMILES Cc1cc(ccc1F)S(=O)(=O)[C@]1(CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H27F8NO5S/c1-16-14-21(10-11-22(16)29)43(41,42)25(12-13-37(15-25)23(38)17-2-4-18(5-3-17)24(39)40)19-6-8-20(9-7-19)26(30,27(31,32)33)28(34,35)36/h6-11,14,17-18H,2-5,12-13,15H2,1H3,(H,39,40)/t17-,18-,25-/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 scintill...


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


(Homo sapiens (Human))
BDBM253141
PNG
(US9458171, 101)
Show InChI InChI=1S/C27H25F8NO6S/c28-19-5-7-20(8-6-19)43(41,42)24(17-1-3-18(4-2-17)25(29,26(30,31)32)27(33,34)35)13-14-36(15-24)22(39)23(40)11-9-16(10-12-23)21(37)38/h1-8,16,40H,9-15H2,(H,37,38)/t16?,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 (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253264
PNG
(US9458171, 224)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)Nc1ccncc1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H24F9N3O4S/c33-22-8-10-24(11-9-22)49(46,47)29(14-17-44(19-29)28(45)43-23-12-15-42-16-13-23)20-4-6-21(7-5-20)30(31(36,37)38,32(39,40)41)48-18-25-26(34)2-1-3-27(25)35/h1-13,15-16H,14,17-19H2,(H,42,43,45)/t29-/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 scintill...


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


(Homo sapiens (Human))
BDBM253075
PNG
(US9458171, 34)
Show SMILES NC(=O)CN1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H18F8N2O3S/c22-15-5-7-16(8-6-15)35(33,34)18(9-10-31(12-18)11-17(30)32)13-1-3-14(4-2-13)19(23,20(24,25)26)21(27,28)29/h1-8H,9-12H2,(H2,30,32)/t18-/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 scintill...


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


(Homo sapiens (Human))
BDBM253271
PNG
(US9458171, 231)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)N1CC[C@H](C1)C#N)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H26F9N3O4S/c33-23-8-10-24(11-9-23)49(46,47)29(13-15-44(19-29)28(45)43-14-12-20(16-42)17-43)21-4-6-22(7-5-21)30(31(36,37)38,32(39,40)41)48-18-25-26(34)2-1-3-27(25)35/h1-11,20H,12-15,17-19H2/t20-,29-/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 scintill...


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


(Homo sapiens (Human))
BDBM253287
PNG
(US9458171, 247)
Show SMILES OC1CCN(CC1)C(=O)N1CC[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/C32H29F9N2O5S/c33-22-8-10-24(11-9-22)49(46,47)29(14-17-43(19-29)28(45)42-15-12-23(44)13-16-42)20-4-6-21(7-5-20)30(31(36,37)38,32(39,40)41)48-18-25-26(34)2-1-3-27(25)35/h1-11,23,44H,12-19H2/t29-/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 scintill...


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


(Homo sapiens (Human))
BDBM253163
PNG
(US9458171, 123)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)c1ncc(cn1)C#N)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H21F9N4O3S/c32-22-8-10-23(11-9-22)48(45,46)28(12-13-44(18-28)27-42-15-19(14-41)16-43-27)20-4-6-21(7-5-20)29(30(35,36)37,31(38,39)40)47-17-24-25(33)2-1-3-26(24)34/h1-11,15-16H,12-13,17-18H2/t28-/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 scintill...


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


(Homo sapiens (Human))
BDBM253408
PNG
(US9458171, 368)
Show SMILES CC(=O)N1CCN(CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)c(C)c1
Show InChI InChI=1S/C27H27F8N3O4S/c1-17-15-21(7-8-22(17)28)43(41,42)24(9-10-38(16-24)23(40)37-13-11-36(12-14-37)18(2)39)19-3-5-20(6-4-19)25(29,26(30,31)32)27(33,34)35/h3-8,15H,9-14,16H2,1-2H3/t24-/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 scintill...


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


(Homo sapiens (Human))
BDBM253425
PNG
(US9458171, 385)
Show SMILES OC(=O)[C@@]1(F)CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H24F9NO5S/c28-19-5-7-20(8-6-19)43(41,42)24(17-1-3-18(4-2-17)25(30,26(31,32)33)27(34,35)36)13-14-37(15-24)21(38)16-9-11-23(29,12-10-16)22(39)40/h1-8,16H,9-15H2,(H,39,40)/t16-,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 (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253334
PNG
(US9458171, 294)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(OCC1CC1)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C31H32F7NO6S/c32-24-11-13-25(14-12-24)46(43,44)28(15-16-39(18-28)26(40)20-3-5-21(6-4-20)27(41)42)22-7-9-23(10-8-22)29(30(33,34)35,31(36,37)38)45-17-19-1-2-19/h7-14,19-21H,1-6,15-18H2,(H,41,42)/t20-,21-,28-/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 scintill...


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


(Homo sapiens (Human))
BDBM253333
PNG
(US9458171, 293)
Show SMILES CC(=O)N1CCN(CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(OCC1CC1)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H32F7N3O5S/c1-20(41)38-14-16-39(17-15-38)26(42)40-13-12-27(19-40,46(43,44)25-10-8-24(31)9-11-25)22-4-6-23(7-5-22)28(29(32,33)34,30(35,36)37)45-18-21-2-3-21/h4-11,21H,2-3,12-19H2,1H3/t27-/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 scintill...


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


(Homo sapiens (Human))
BDBM253288
PNG
(US9458171, 248)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)N1CCC(CC1)C#N)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H28F9N3O4S/c34-24-8-10-25(11-9-24)50(47,48)30(14-17-45(20-30)29(46)44-15-12-21(18-43)13-16-44)22-4-6-23(7-5-22)31(32(37,38)39,33(40,41)42)49-19-26-27(35)2-1-3-28(26)36/h1-11,21H,12-17,19-20H2/t30-/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 scintill...


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


(Homo sapiens (Human))
BDBM253327
PNG
(US9458171, 287)
Show SMILES COC(c1ccc(cc1)[C@@]1(CCN(C1)C(=O)N1CCN(CC1)C(C)=O)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H28F7N3O5S/c1-18(38)35-13-15-36(16-14-35)23(39)37-12-11-24(17-37,43(40,41)22-9-7-21(28)8-10-22)19-3-5-20(6-4-19)25(42-2,26(29,30)31)27(32,33)34/h3-10H,11-17H2,1-2H3/t24-/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 scintill...


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


(Homo sapiens (Human))
BDBM253093
PNG
(US9458171, 53)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CCC(C1)(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27F7N2O5S/c1-17(37)35-13-10-18(11-14-35)23(38)36-15-12-24(16-36,42(40,41)22-8-6-21(28)7-9-22)19-2-4-20(5-3-19)25(39,26(29,30)31)27(32,33)34/h2-9,18,39H,10-16H2,1H3
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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 scintill...


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


(Homo sapiens (Human))
BDBM253320
PNG
(US9458171, 280)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)N1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H27F9N2O5S/c32-22-8-10-23(11-9-22)48(44,45)28(12-13-42(19-28)27(43)41-14-16-46-17-15-41)20-4-6-21(7-5-20)29(30(35,36)37,31(38,39)40)47-18-24-25(33)2-1-3-26(24)34/h1-11H,12-19H2/t28-/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 scintill...


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


(Homo sapiens (Human))
BDBM253235
PNG
(US9458171, 195)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)c1ccc2C(=O)NS(=O)(=O)c2c1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H23F9N2O7S2/c35-22-9-11-23(12-10-22)53(48,49)31(14-15-45(18-31)30(47)19-4-13-24-28(16-19)54(50,51)44-29(24)46)20-5-7-21(8-6-20)32(33(38,39)40,34(41,42)43)52-17-25-26(36)2-1-3-27(25)37/h1-13,16H,14-15,17-18H2,(H,44,46)/t31-/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 scintill...


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


(Homo sapiens (Human))
BDBM253309
PNG
(US9458171, 269)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H29F9N4O6S/c35-22-8-10-23(11-9-22)54(51,52)31(14-17-47(19-31)29(50)46-15-12-30(13-16-46)27(48)44-28(49)45-30)20-4-6-21(7-5-20)32(33(38,39)40,34(41,42)43)53-18-24-25(36)2-1-3-26(24)37/h1-11H,12-19H2,(H2,44,45,48,49)/t31-/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 scintill...


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


(Homo sapiens (Human))
BDBM253427
PNG
(US9458171, 387)
Show SMILES CC[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H29F8NO5S/c1-2-25(13-11-18(12-14-25)23(39)40)24(41)38-16-15-26(17-38,44(42,43)22-9-7-21(30)8-10-22)19-3-5-20(6-4-19)27(31,28(32,33)34)29(35,36)37/h3-10,18H,2,11-17H2,1H3,(H,39,40)/t18-,25-,26-/m0/s1
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More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253542
PNG
(US9458171, 502)
Show SMILES OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H23F8NO6S2/c26-18-5-7-19(8-6-18)42(39,40)22(9-12-34(15-22)20(35)21(36)10-13-41(37,38)14-11-21)16-1-3-17(4-2-16)23(27,24(28,29)30)25(31,32)33/h1-8,36H,9-15H2/t22-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253272
PNG
(US9458171, 232)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)N1CC[C@@H](C1)C#N)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H26F9N3O4S/c33-23-8-10-24(11-9-23)49(46,47)29(13-15-44(19-29)28(45)43-14-12-20(16-42)17-43)21-4-6-22(7-5-21)30(31(36,37)38,32(39,40)41)48-18-25-26(34)2-1-3-27(25)35/h1-11,20H,12-15,17-19H2/t20-,29+/m1/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253071
PNG
(US9458171, 30)
Show SMILES Fc1cccc(F)c1COC(c1ccc(cc1)[C@@]1(CCN(C1)C(=O)N1CCC(CC1)C#N)S(=O)(=O)c1ccc(cc1)N=[N+]=[N-])(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H28F8N6O4S/c34-27-2-1-3-28(35)26(27)19-51-31(32(36,37)38,33(39,40)41)23-6-4-22(5-7-23)30(52(49,50)25-10-8-24(9-11-25)44-45-43)14-17-47(20-30)29(48)46-15-12-21(18-42)13-16-46/h1-11,21H,12-17,19-20H2/t30-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253068
PNG
(US9458171, 25)
Show SMILES CC(=O)N1CCC(CO)(CC1)C(=O)N1CC[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/C35H33F9N2O6S/c1-22(48)45-16-13-31(21-47,14-17-45)30(49)46-18-15-32(20-46,53(50,51)26-11-9-25(36)10-12-26)23-5-7-24(8-6-23)33(34(39,40)41,35(42,43)44)52-19-27-28(37)3-2-4-29(27)38/h2-12,47H,13-21H2,1H3/t32-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253124
PNG
(US9458171, 84)
Show SMILES OC(c1ccc(cc1)[C@]1(CCN(C1)C(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23F7N2O5S/c25-18-5-7-19(8-6-18)39(36,37)21(9-10-33(15-21)20(34)32-11-13-38-14-12-32)16-1-3-17(4-2-16)22(35,23(26,27)28)24(29,30)31/h1-8,35H,9-15H2/t21-/m1/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253277
PNG
(US9458171, 237)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)N1CCC2(C1)NC(=O)NC2=O)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H27F9N4O6S/c34-21-8-10-22(11-9-21)53(50,51)30(13-15-46(18-30)28(49)45-14-12-29(17-45)26(47)43-27(48)44-29)19-4-6-20(7-5-19)31(32(37,38)39,33(40,41)42)52-16-23-24(35)2-1-3-25(23)36/h1-11H,12-18H2,(H2,43,44,47,48)/t29?,30-/m0/s1
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Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253189
PNG
(US9458171, 149)
Show InChI InChI=1S/C35H30F9NO6S/c36-24-8-10-25(11-9-24)52(49,50)32(12-13-45(19-32)29(46)20-14-31(15-20)16-21(17-31)30(47)48)22-4-6-23(7-5-22)33(34(39,40)41,35(42,43)44)51-18-26-27(37)2-1-3-28(26)38/h1-11,20-21H,12-19H2,(H,47,48)/t20?,21?,31?,32-/m1/s1
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More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253156
PNG
(US9458171, 116)
Show SMILES CC(=O)N1CCN(CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H25F8N3O4S/c1-17(38)35-12-14-36(15-13-35)22(39)37-11-10-23(16-37,42(40,41)21-8-6-20(27)7-9-21)18-2-4-19(5-3-18)24(28,25(29,30)31)26(32,33)34/h2-9H,10-16H2,1H3/t23-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253254
PNG
(US9458171, 214)
Show SMILES CC(C)(C)OC(=O)N1CCC(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/C31H28F9NO5S/c1-27(2,3)46-26(42)41-16-15-28(18-41,47(43,44)22-13-11-21(32)12-14-22)19-7-9-20(10-8-19)29(30(35,36)37,31(38,39)40)45-17-23-24(33)5-4-6-25(23)34/h4-14H,15-18H2,1-3H3
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253188
PNG
(US9458171, 148)
Show InChI InChI=1S/C35H30F9NO6S/c36-24-8-10-25(11-9-24)52(49,50)32(12-13-45(19-32)29(46)20-14-31(15-20)16-21(17-31)30(47)48)22-4-6-23(7-5-22)33(34(39,40)41,35(42,43)44)51-18-26-27(37)2-1-3-28(26)38/h1-11,20-21H,12-19H2,(H,47,48)/t20?,21?,31?,32-/m0/s1
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Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253276
PNG
(US9458171, 236)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)N1CCC(C1)c1ccncc1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C36H30F9N3O4S/c37-27-8-10-28(11-9-27)53(50,51)33(15-19-48(22-33)32(49)47-18-14-24(20-47)23-12-16-46-17-13-23)25-4-6-26(7-5-25)34(35(40,41)42,36(43,44)45)52-21-29-30(38)2-1-3-31(29)39/h1-13,16-17,24H,14-15,18-22H2/t24?,33-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253242
PNG
(US9458171, 202)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@](C2)(c2ccc(cc2)C(OCc2c(F)cccc2F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C36H30F9NO6S2/c1-2-53(48,49)27-14-6-23(7-15-27)20-32(47)46-19-18-33(22-46,54(50,51)28-16-12-26(37)13-17-28)24-8-10-25(11-9-24)34(35(40,41)42,36(43,44)45)52-21-29-30(38)4-3-5-31(29)39/h3-17H,2,18-22H2,1H3/t33-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253315
PNG
(US9458171, 275)
Show SMILES CC(=O)N1CCN(CC1)C(=O)N1CC[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/C33H30F9N3O5S/c1-21(46)43-15-17-44(18-16-43)29(47)45-14-13-30(20-45,51(48,49)25-11-9-24(34)10-12-25)22-5-7-23(8-6-22)31(32(37,38)39,33(40,41)42)50-19-26-27(35)3-2-4-28(26)36/h2-12H,13-20H2,1H3/t30-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253335
PNG
(US9458171, 295)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(OCC1CCC1)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C32H34F7NO6S/c33-25-12-14-26(15-13-25)47(44,45)29(16-17-40(19-29)27(41)21-4-6-22(7-5-21)28(42)43)23-8-10-24(11-9-23)30(31(34,35)36,32(37,38)39)46-18-20-2-1-3-20/h8-15,20-22H,1-7,16-19H2,(H,42,43)/t21-,22-,29-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253154
PNG
(US9458171, 114)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)Cc1ccncc1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H20F8N2O3S/c27-20-5-7-21(8-6-20)40(38,39)23(11-14-36(16-23)22(37)15-17-9-12-35-13-10-17)18-1-3-19(4-2-18)24(28,25(29,30)31)26(32,33)34/h1-10,12-13H,11,14-16H2/t23-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253248
PNG
(US9458171, 208)
Show SMILES Cc1nonc1CC(=O)N1CC[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/C31H24F9N3O5S/c1-18-26(42-48-41-18)15-27(44)43-14-13-28(17-43,49(45,46)22-11-9-21(32)10-12-22)19-5-7-20(8-6-19)29(30(35,36)37,31(38,39)40)47-16-23-24(33)3-2-4-25(23)34/h2-12H,13-17H2,1H3/t28-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253260
PNG
(US9458171, 220)
Show SMILES CCOC(=O)CNC(=O)N1CCC(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/C31H27F9N2O6S/c1-2-47-26(43)16-41-27(44)42-15-14-28(18-42,49(45,46)22-12-10-21(32)11-13-22)19-6-8-20(9-7-19)29(30(35,36)37,31(38,39)40)48-17-23-24(33)4-3-5-25(23)34/h3-13H,2,14-18H2,1H3,(H,41,44)
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253167
PNG
(US9458171, 127)
Show SMILES NC(=O)CN1CC[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/C28H23F9N2O4S/c29-19-8-10-20(11-9-19)44(41,42)25(12-13-39(16-25)14-24(38)40)17-4-6-18(7-5-17)26(27(32,33)34,28(35,36)37)43-15-21-22(30)2-1-3-23(21)31/h1-11H,12-16H2,(H2,38,40)/t25-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253324
PNG
(US9458171, 284)
Show SMILES OC[C@@H]1CN(CCO1)C(=O)N1CC[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/C32H29F9N2O6S/c33-22-8-10-24(11-9-22)50(46,47)29(12-13-43(19-29)28(45)42-14-15-48-23(16-42)17-44)20-4-6-21(7-5-20)30(31(36,37)38,32(39,40)41)49-18-25-26(34)2-1-3-27(25)35/h1-11,23,44H,12-19H2/t23-,29-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253544
PNG
(US9458171, 504)
Show SMILES COC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H25F8NO6S2/c1-41-22(11-14-42(37,38)15-12-22)21(36)35-13-10-23(16-35,43(39,40)20-8-6-19(27)7-9-20)17-2-4-18(5-3-17)24(28,25(29,30)31)26(32,33)34/h2-9H,10-16H2,1H3/t23-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM253047
PNG
(US9458171, 3)
Show SMILES OC(c1ccc(cc1)[C@@]1(CCNC1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H16F7NO3S/c20-14-5-7-15(8-6-14)31(29,30)16(9-10-27-11-16)12-1-3-13(4-2-12)17(28,18(21,22)23)19(24,25)26/h1-8,27-28H,9-11H2/t16-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253177
PNG
(US9458171, 137)
Show SMILES CC(C)(O)C(=O)N1CCC(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/C30H26F9NO5S/c1-26(2,42)25(41)40-15-14-27(17-40,46(43,44)21-12-10-20(31)11-13-21)18-6-8-19(9-7-18)28(29(34,35)36,30(37,38)39)45-16-22-23(32)4-3-5-24(22)33/h3-13,42H,14-17H2,1-2H3
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253117
PNG
(US9458171, 77)
Show SMILES OC(c1ccc(cc1)[C@@]1(CCN(C1)C(=O)N1CCC(O)(CC1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H24F10N2O5S/c27-18-5-7-19(8-6-18)44(42,43)21(16-1-3-17(4-2-16)23(41,25(31,32)33)26(34,35)36)9-12-38(15-21)20(39)37-13-10-22(40,11-14-37)24(28,29)30/h1-8,40-41H,9-15H2/t21-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253349
PNG
(US9458171, 309)
Show SMILES CC(=O)N1CCN(CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(OC1CCCC1)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C31H34F7N3O5S/c1-21(42)39-16-18-40(19-17-39)27(43)41-15-14-28(20-41,47(44,45)26-12-10-24(32)11-13-26)22-6-8-23(9-7-22)29(30(33,34)35,31(36,37)38)46-25-4-2-3-5-25/h6-13,25H,2-5,14-20H2,1H3/t28-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253331
PNG
(US9458171, 291)
Show SMILES COCCOC(c1ccc(cc1)[C@@]1(CCN(C1)C(=O)N1CCN(CC1)C(C)=O)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H32F7N3O6S/c1-20(40)37-13-15-38(16-14-37)25(41)39-12-11-26(19-39,46(42,43)24-9-7-23(30)8-10-24)21-3-5-22(6-4-21)27(28(31,32)33,29(34,35)36)45-18-17-44-2/h3-10H,11-19H2,1-2H3/t26-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253348
PNG
(US9458171, 308)
Show SMILES CC(C)OC(c1ccc(cc1)[C@@]1(CCN(C1)C(=O)N1CCN(CC1)C(C)=O)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H32F7N3O5S/c1-19(2)44-27(28(31,32)33,29(34,35)36)22-6-4-21(5-7-22)26(45(42,43)24-10-8-23(30)9-11-24)12-13-39(18-26)25(41)38-16-14-37(15-17-38)20(3)40/h4-11,19H,12-18H2,1-3H3/t26-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253273
PNG
(US9458171, 233)
Show SMILES OC(=O)C[C@@H]1CCN(C1)C(=O)N1CC[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/C33H29F9N2O6S/c34-23-8-10-24(11-9-23)51(48,49)30(13-15-44(19-30)29(47)43-14-12-20(17-43)16-28(45)46)21-4-6-22(7-5-21)31(32(37,38)39,33(40,41)42)50-18-25-26(35)2-1-3-27(25)36/h1-11,20H,12-19H2,(H,45,46)/t20-,30-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253300
PNG
(US9458171, 260)
Show SMILES Fc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)N1CCC(CC1)c1nnn[nH]1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H29F9N6O4S/c34-23-8-10-24(11-9-23)53(50,51)30(14-17-48(19-30)29(49)47-15-12-20(13-16-47)28-43-45-46-44-28)21-4-6-22(7-5-21)31(32(37,38)39,33(40,41)42)52-18-25-26(35)2-1-3-27(25)36/h1-11,20H,12-19H2,(H,43,44,45,46)/t30-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253214
PNG
(US9458171, 174)
Show SMILES CC(=O)N1CCC(N)(CC1)C(=O)N1CC[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/C34H32F9N3O5S/c1-21(47)45-16-13-30(44,14-17-45)29(48)46-18-15-31(20-46,52(49,50)25-11-9-24(35)10-12-25)22-5-7-23(8-6-22)32(33(38,39)40,34(41,42)43)51-19-26-27(36)3-2-4-28(26)37/h2-12H,13-20,44H2,1H3/t31-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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


(Homo sapiens (Human))
BDBM253443
PNG
(US9458171, 403)
Show SMILES OC(=O)C12CCC(CC1)(CO2)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H25F8NO6S/c29-19-5-7-20(8-6-19)44(41,42)25(17-1-3-18(4-2-17)26(30,27(31,32)33)28(34,35)36)13-14-37(15-25)21(38)23-9-11-24(12-10-23,22(39)40)43-16-23/h1-8H,9-16H2,(H,39,40)/t23?,24?,25-/m0/s1
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The binding of potential ligands to RORγ is measured by competition with [3H] 25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintill...


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