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Patent code US9637455

Compile Data Set for Download or QSAR
Found 21 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))
BDBM325799
PNG
(US9637455, 15)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)C1CCOCC1)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(14-16-43(17-15-30)29(44)21-12-18-47-19-13-21)22-4-6-23(7-5-22)31(32(37,38)39,33(40,41)42)48-20-26-27(35)2-1-3-28(26)36/h1-11,21H,12-20H2
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325787
PNG
(1-(4-(4-(2-((2,6-difluorobenzyl)oxy)-1,1,1,3,3,3-h...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)CC1CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H32F9NO5S/c35-25-8-10-26(11-9-25)50(46,47)31(14-16-44(17-15-31)30(45)20-22-12-18-48-19-13-22)23-4-6-24(7-5-23)32(33(38,39)40,34(41,42)43)49-21-27-28(36)2-1-3-29(27)37/h1-11,22H,12-21H2
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325790
PNG
(US9637455, 6)
Show SMILES COCC(=O)N1CCC(CC1)(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/c1-44-18-26(41)40-15-13-27(14-16-40,46(42,43)22-11-9-21(31)10-12-22)19-5-7-20(8-6-19)28(29(34,35)36,30(37,38)39)45-17-23-24(32)3-2-4-25(23)33/h2-12H,13-18H2,1H3
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325802
PNG
(US9637455, 18)
Show SMILES CCNC(=O)N1CCC(CC1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H27F9N2O4S/c1-2-40-26(42)41-16-14-27(15-17-41,46(43,44)22-12-10-21(31)11-13-22)19-6-8-20(9-7-19)28(29(34,35)36,30(37,38)39)45-18-23-24(32)4-3-5-25(23)33/h3-13H,2,14-18H2,1H3,(H,40,42)
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325789
PNG
(US9637455, 5)
Show SMILES CCC(=O)N1CCC(CC1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C30H26F9NO4S/c1-2-26(41)40-16-14-27(15-17-40,45(42,43)22-12-10-21(31)11-13-22)19-6-8-20(9-7-19)28(29(34,35)36,30(37,38)39)44-18-23-24(32)4-3-5-25(23)33/h3-13H,2,14-18H2,1H3
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325804
PNG
(US9637455, 20)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)Nc1ccncc1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H26F9N3O4S/c34-23-8-10-25(11-9-23)50(47,48)30(14-18-45(19-15-30)29(46)44-24-12-16-43-17-13-24)21-4-6-22(7-5-21)31(32(37,38)39,33(40,41)42)49-20-26-27(35)2-1-3-28(26)36/h1-13,16-17H,14-15,18-20H2,(H,43,44,46)
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325805
PNG
(US9637455, 21)
Show SMILES CS(=O)(=O)N1CCC(CC1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H24F9NO5S2/c1-44(39,40)38-15-13-25(14-16-38,45(41,42)21-11-9-20(29)10-12-21)18-5-7-19(8-6-18)26(27(32,33)34,28(35,36)37)43-17-22-23(30)3-2-4-24(22)31/h2-12H,13-17H2,1H3
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325803
PNG
(US9637455, 19)
Show SMILES CC(C)(C)NC(=O)N1CCC(CC1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C32H31F9N2O4S/c1-28(2,3)42-27(44)43-17-15-29(16-18-43,48(45,46)23-13-11-22(33)12-14-23)20-7-9-21(10-8-20)30(31(36,37)38,32(39,40)41)47-19-24-25(34)5-4-6-26(24)35/h4-14H,15-19H2,1-3H3,(H,42,44)
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325800
PNG
(US9637455, 16)
Show SMILES COC(=O)N1CCC(CC1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H24F9NO5S/c1-43-25(40)39-15-13-26(14-16-39,45(41,42)21-11-9-20(30)10-12-21)18-5-7-19(8-6-18)27(28(33,34)35,29(36,37)38)44-17-22-23(31)3-2-4-24(22)32/h2-12H,13-17H2,1H3
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325794
PNG
(US9637455, 10)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)Cc1cccnc1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H27F9N2O4S/c35-25-10-12-26(13-11-25)50(47,48)31(14-17-45(18-15-31)30(46)19-22-3-2-16-44-20-22)23-6-8-24(9-7-23)32(33(38,39)40,34(41,42)43)49-21-27-28(36)4-1-5-29(27)37/h1-13,16,20H,14-15,17-19,21H2
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325791
PNG
(US9637455, 7)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)Cc1ccccc1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C35H28F9NO4S/c36-26-13-15-27(16-14-26)50(47,48)32(17-19-45(20-18-32)31(46)21-23-5-2-1-3-6-23)24-9-11-25(12-10-24)33(34(39,40)41,35(42,43)44)49-22-28-29(37)7-4-8-30(28)38/h1-16H,17-22H2
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325792
PNG
(US9637455, 8)
Show SMILES NC(=O)c1ccc(CC(=O)N2CCC(CC2)(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/C36H29F9N2O5S/c37-26-12-14-27(15-13-26)53(50,51)33(16-18-47(19-17-33)31(48)20-22-4-6-23(7-5-22)32(46)49)24-8-10-25(11-9-24)34(35(40,41)42,36(43,44)45)52-21-28-29(38)2-1-3-30(28)39/h1-15H,16-21H2,(H2,46,49)
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM326335
PNG
(US9637455, 1)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCOCC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H21F9O4S/c28-19-8-10-20(11-9-19)41(37,38)24(12-14-39-15-13-24)17-4-6-18(7-5-17)25(26(31,32)33,27(34,35)36)40-16-21-22(29)2-1-3-23(21)30/h1-11H,12-16H2
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325796
PNG
(US9637455, 12)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)c1cccnc1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H25F9N2O4S/c34-24-10-12-25(13-11-24)49(46,47)30(14-17-44(18-15-30)29(45)21-3-2-16-43-19-21)22-6-8-23(9-7-22)31(32(37,38)39,33(40,41)42)48-20-26-27(35)4-1-5-28(26)36/h1-13,16,19H,14-15,17-18,20H2
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325795
PNG
(US9637455, 11)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)Cc1ccncc1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H27F9N2O4S/c35-25-8-10-26(11-9-25)50(47,48)31(14-18-45(19-15-31)30(46)20-22-12-16-44-17-13-22)23-4-6-24(7-5-23)32(33(38,39)40,34(41,42)43)49-21-27-28(36)2-1-3-29(27)37/h1-13,16-17H,14-15,18-21H2
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325786
PNG
(1-(4-(4-(4-(2-((2,6-difluorobenzyl)oxy)-1,1,1,3,3,...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C32H30F9NO5S/c1-28(2,3)47-27(43)42-17-15-29(16-18-42,48(44,45)23-13-11-22(33)12-14-23)20-7-9-21(10-8-20)30(31(36,37)38,32(39,40)41)46-19-24-25(34)5-4-6-26(24)35/h4-14H,15-19H2,1-3H3
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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325798
PNG
(US9637455, 14)
Show SMILES CC(=O)N1CCC(CC1)C(=O)N1CCC(CC1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C35H33F9N2O5S/c1-22(47)45-17-13-23(14-18-45)31(48)46-19-15-32(16-20-46,52(49,50)27-11-9-26(36)10-12-27)24-5-7-25(8-6-24)33(34(39,40)41,35(42,43)44)51-21-28-29(37)3-2-4-30(28)38/h2-12,23H,13-21H2,1H3
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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325797
PNG
(US9637455, 13)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CCC(CC1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C35H32F9NO6S/c36-25-12-14-26(15-13-25)52(49,50)32(16-18-45(19-17-32)30(46)21-4-6-22(7-5-21)31(47)48)23-8-10-24(11-9-23)33(34(39,40)41,35(42,43)44)51-20-27-28(37)2-1-3-29(27)38/h1-3,8-15,21-22H,4-7,16-20H2,(H,47,48)/t21-,22-
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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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325801
PNG
(US9637455, 17)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)OCc1ccccc1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C35H28F9NO5S/c36-26-13-15-27(16-14-26)51(47,48)32(17-19-45(20-18-32)31(46)49-21-23-5-2-1-3-6-23)24-9-11-25(12-10-24)33(34(39,40)41,35(42,43)44)50-22-28-29(37)7-4-8-30(28)38/h1-16H,17-22H2
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 scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325793
PNG
(US9637455, 9)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)Cc1ccc(cc1)C#N)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C36H27F9N2O4S/c37-27-12-14-28(15-13-27)52(49,50)33(16-18-47(19-17-33)32(48)20-23-4-6-24(21-46)7-5-23)25-8-10-26(11-9-25)34(35(40,41)42,36(43,44)45)51-22-29-30(38)2-1-3-31(29)39/h1-15H,16-20,22H2
PDB

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.39E+3n/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 (Perkin Elmer NET674250UC) using a scintillat...


US Patent US9637455 (2017)

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


(Homo sapiens (Human))
BDBM325785
PNG
((3-(4-(2-((2,6-difluorobenzyl)oxy)-1,1,1,3,3,3-hex...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C(=C)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H15F9O3S/c1-14(37(34,35)18-11-9-17(25)10-12-18)15-5-7-16(8-6-15)22(23(28,29)30,24(31,32)33)36-13-19-20(26)3-2-4-21(19)27/h2-12H,1,13H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.63E+3n/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 (Perkin Elmer NET674250UC) using a scintillat...


US Patent US9637455 (2017)

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