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Patent code US9598415

Compile Data Set for Download or QSAR

Found 265 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))
BDBM302203
PNG
(US9598415, 115)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(CC3CCC3)c2=O)-c2c(C)ncnc2C2CC2)cc1
Show InChI InChI=1S/C28H31N7O3S/c1-3-39(37,38)21-11-7-18(8-12-21)13-29-26-28(36)35(15-19-5-4-6-19)27-22(33-26)14-30-25(34-27)23-17(2)31-16-32-24(23)20-9-10-20/h7-8,11-12,14,16,19-20H,3-6,9-10,13,15H2,1-2H3,(H,29,33)
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n/an/a 67n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302265
PNG
(US9598415, 177)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C(F)(F)F)c2=O)-c2c(C)ncnc2C2CC2)cc1
Show InChI InChI=1S/C26H26F3N7O3S/c1-4-40(38,39)18-9-5-16(6-10-18)11-30-23-25(37)36(15(3)26(27,28)29)24-19(34-23)12-31-22(35-24)20-14(2)32-13-33-21(20)17-7-8-17/h5-6,9-10,12-13,15,17H,4,7-8,11H2,1-3H3,(H,30,34)/t15-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302297
PNG
(US9598415, 209)
Show SMILES COCCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)cc1
Show InChI InChI=1S/C29H33N7O4S/c1-17-24(25(21-8-9-21)33-16-32-17)26-31-15-23-28(35-26)36(18(2)20-6-7-20)29(37)27(34-23)30-14-19-4-10-22(11-5-19)41(38,39)13-12-40-3/h4-5,10-11,15-16,18,20-21H,6-9,12-14H2,1-3H3,(H,30,34)/t18-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302289
PNG
(US9598415, 201)
Show SMILES CCCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)nc1
Show InChI InChI=1S/C28H32N8O3S/c1-4-11-40(38,39)21-10-9-20(29-13-21)12-30-26-28(37)36(17(3)18-5-6-18)27-22(34-26)14-31-25(35-27)23-16(2)32-15-33-24(23)19-7-8-19/h9-10,13-15,17-19H,4-8,11-12H2,1-3H3,(H,30,34)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302293
PNG
(US9598415, 205)
Show SMILES COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(cc3)S(N)(=O)=O)c(=O)n([C@@H](C)C3CC3)c2n1
Show InChI InChI=1S/C26H28N8O4S/c1-14(16-5-6-16)34-24-19(12-29-22(33-24)20-21(17-7-8-17)30-13-31-25(20)38-2)32-23(26(34)35)28-11-15-3-9-18(10-4-15)39(27,36)37/h3-4,9-10,12-14,16-17H,5-8,11H2,1-2H3,(H,28,32)(H2,27,36,37)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302191
PNG
(US9598415, 103)
Show SMILES CCS(=O)(=O)c1cnc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)s1
Show InChI InChI=1S/C25H28N8O3S2/c1-4-38(35,36)19-11-26-18(37-19)10-28-23-25(34)33(14(3)15-5-6-15)24-17(31-23)9-27-22(32-24)20-13(2)29-12-30-21(20)16-7-8-16/h9,11-12,14-16H,4-8,10H2,1-3H3,(H,28,31)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302280
PNG
(US9598415, 192)
Show SMILES CC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(cc2)S(C)(=O)=O)c1=O)-c1c(ncnc1C1CC1)C1CC1
Show InChI InChI=1S/C28H31N7O3S/c1-4-16(2)35-27-21(33-26(28(35)36)29-13-17-5-11-20(12-6-17)39(3,37)38)14-30-25(34-27)22-23(18-7-8-18)31-15-32-24(22)19-9-10-19/h5-6,11-12,14-16,18-19H,4,7-10,13H2,1-3H3,(H,29,33)/t16-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302279
PNG
(US9598415, 191)
Show SMILES CC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(cc2)S(C)(=O)=O)c1=O)-c1c(CC)ncnc1C1CC1
Show InChI InChI=1S/C27H31N7O3S/c1-5-16(3)34-26-21(14-29-24(33-26)22-20(6-2)30-15-31-23(22)18-9-10-18)32-25(27(34)35)28-13-17-7-11-19(12-8-17)38(4,36)37/h7-8,11-12,14-16,18H,5-6,9-10,13H2,1-4H3,(H,28,32)/t16-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302247
PNG
(US9598415, 159)
Show SMILES C[C@@H](C1CC1)n1c2nc(ncc2nc(NCC2CCN(CC2)S(=O)(=O)C2CC2)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C28H36N8O3S/c1-16-23(24(20-5-6-20)32-15-31-16)25-30-14-22-27(34-25)36(17(2)19-3-4-19)28(37)26(33-22)29-13-18-9-11-35(12-10-18)40(38,39)21-7-8-21/h14-15,17-21H,3-13H2,1-2H3,(H,29,33)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302245
PNG
(US9598415, 157)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(OC)ncnc2C2CC2)cn1
Show InChI InChI=1S/C27H30N8O4S/c1-4-40(37,38)20-10-5-16(11-28-20)12-29-24-27(36)35(15(2)17-6-7-17)25-19(33-24)13-30-23(34-25)21-22(18-8-9-18)31-14-32-26(21)39-3/h5,10-11,13-15,17-18H,4,6-9,12H2,1-3H3,(H,29,33)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302233
PNG
(US9598415, 145)
Show SMILES C[C@@H](C1CC1)n1c2nc(ncc2nc(NCc2ccc(cc2)S(=O)(=O)CC#N)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C28H28N8O3S/c1-16-23(24(20-7-8-20)33-15-32-16)25-31-14-22-27(35-25)36(17(2)19-5-6-19)28(37)26(34-22)30-13-18-3-9-21(10-4-18)40(38,39)12-11-29/h3-4,9-10,14-15,17,19-20H,5-8,12-13H2,1-2H3,(H,30,34)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302212
PNG
(US9598415, 124)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(OC)ncnc2C2CC2)cn1
Show InChI InChI=1S/C27H30N8O4S/c1-4-40(37,38)20-10-5-16(11-28-20)12-29-24-27(36)35(15(2)17-6-7-17)25-19(33-24)13-30-23(34-25)21-22(18-8-9-18)31-14-32-26(21)39-3/h5,10-11,13-15,17-18H,4,6-9,12H2,1-3H3,(H,29,33)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302281
PNG
(US9598415, 193)
Show SMILES C[C@H](C1CCC1)n1c2nc(ncc2nc(NCc2ccc(cc2)S(C)(=O)=O)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C28H31N7O3S/c1-16-23(24(20-9-10-20)32-15-31-16)25-30-14-22-27(34-25)35(17(2)19-5-4-6-19)28(36)26(33-22)29-13-18-7-11-21(12-8-18)39(3,37)38/h7-8,11-12,14-15,17,19-20H,4-6,9-10,13H2,1-3H3,(H,29,33)/t17-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302185
PNG
(US9598415, 97)
Show SMILES CC[C@H](C)n1c2nc(ncc2nc(NCc2ccc(cn2)S(C)(=O)=O)c1=O)-c1c(OC)ncnc1C1CC1
Show InChI InChI=1S/C25H28N8O4S/c1-5-14(2)33-23-18(12-28-21(32-23)19-20(15-6-7-15)29-13-30-24(19)37-3)31-22(25(33)34)27-10-16-8-9-17(11-26-16)38(4,35)36/h8-9,11-15H,5-7,10H2,1-4H3,(H,27,31)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302246
PNG
(US9598415, 158)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)cn1
Show InChI InChI=1S/C27H30N8O3S/c1-4-39(37,38)21-10-5-17(11-28-21)12-29-25-27(36)35(16(3)18-6-7-18)26-20(33-25)13-30-24(34-26)22-15(2)31-14-32-23(22)19-8-9-19/h5,10-11,13-14,16,18-19H,4,6-9,12H2,1-3H3,(H,29,33)/t16-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302202
PNG
(US9598415, 114)
Show SMILES CCS(=O)(=O)c1sc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)nc1C
Show InChI InChI=1S/C26H30N8O3S2/c1-5-39(36,37)26-14(3)31-19(38-26)11-28-23-25(35)34(15(4)16-6-7-16)24-18(32-23)10-27-22(33-24)20-13(2)29-12-30-21(20)17-8-9-17/h10,12,15-17H,5-9,11H2,1-4H3,(H,28,32)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302201
PNG
(US9598415, 113)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@H](C3CC3)C(F)(F)F)c2=O)-c2c(OC)ncnc2C2CC2)nc1
Show InChI InChI=1S/C27H27F3N8O4S/c1-3-43(40,41)17-9-8-16(31-11-17)10-32-23-26(39)38(21(15-6-7-15)27(28,29)30)24-18(36-23)12-33-22(37-24)19-20(14-4-5-14)34-13-35-25(19)42-2/h8-9,11-15,21H,3-7,10H2,1-2H3,(H,32,36)/t21-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302181
PNG
(US9598415, 93)
Show SMILES COCCS(=O)(=O)N1CCC(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)CC1
Show InChI InChI=1S/C28H38N8O4S/c1-17-23(24(21-6-7-21)32-16-31-17)25-30-15-22-27(34-25)36(18(2)20-4-5-20)28(37)26(33-22)29-14-19-8-10-35(11-9-19)41(38,39)13-12-40-3/h15-16,18-21H,4-14H2,1-3H3,(H,29,33)/t18-/m0/s1
PDB

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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302189
PNG
(US9598415, 101)
Show SMILES CC[C@@H](n1c2nc(ncc2nc(NCc2ccc(cn2)S(=O)(=O)CC)c1=O)-c1c(C)ncnc1C1CC1)C(F)(F)F
Show InChI InChI=1S/C26H27F3N8O3S/c1-4-19(26(27,28)29)37-24-18(12-32-22(36-24)20-14(3)33-13-34-21(20)15-6-7-15)35-23(25(37)38)31-10-16-8-9-17(11-30-16)41(39,40)5-2/h8-9,11-13,15,19H,4-7,10H2,1-3H3,(H,31,35)/t19-/m1/s1
PDB

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n/an/a 115n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302214
PNG
(US9598415, 126)
Show SMILES COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(cn3)S(N)(=O)=O)c(=O)n([C@@H](C)C3CC3)c2n1
Show InChI InChI=1S/C25H27N9O4S/c1-13(14-3-4-14)34-23-18(11-29-21(33-23)19-20(15-5-6-15)30-12-31-24(19)38-2)32-22(25(34)35)28-9-16-7-8-17(10-27-16)39(26,36)37/h7-8,10-15H,3-6,9H2,1-2H3,(H,28,32)(H2,26,36,37)/t13-/m0/s1
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n/an/a 119n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302312
PNG
(US9598415, 224)
Show SMILES CC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(nc2)S(=O)(=O)CC)c1=O)-c1c(ncnc1C1CC1)C1CC1
Show InChI InChI=1S/C28H32N8O3S/c1-4-16(3)36-27-20(34-26(28(36)37)30-13-17-6-11-21(29-12-17)40(38,39)5-2)14-31-25(35-27)22-23(18-7-8-18)32-15-33-24(22)19-9-10-19/h6,11-12,14-16,18-19H,4-5,7-10,13H2,1-3H3,(H,30,34)/t16-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302287
PNG
(US9598415, 199)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CCC3)c2=O)-c2c(C)ncnc2C2CC2)nc1
Show InChI InChI=1S/C28H32N8O3S/c1-4-40(38,39)21-11-10-20(29-13-21)12-30-26-28(37)36(17(3)18-6-5-7-18)27-22(34-26)14-31-25(35-27)23-16(2)32-15-33-24(23)19-8-9-19/h10-11,13-15,17-19H,4-9,12H2,1-3H3,(H,30,34)/t17-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302300
PNG
(US9598415, 212)
Show SMILES C[C@@H](C1CC1)n1c2nc(ncc2nc(NCc2ccc3c(CCS3(=O)=O)c2)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C28H29N7O3S/c1-15-23(24(19-6-7-19)32-14-31-15)25-30-13-21-27(34-25)35(16(2)18-4-5-18)28(36)26(33-21)29-12-17-3-8-22-20(11-17)9-10-39(22,37)38/h3,8,11,13-14,16,18-19H,4-7,9-10,12H2,1-2H3,(H,29,33)/t16-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302277
PNG
(US9598415, 189)
Show SMILES CC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(cc2)S(C)(=O)=O)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C26H29N7O3S/c1-5-15(2)33-25-20(13-28-23(32-25)21-16(3)29-14-30-22(21)18-8-9-18)31-24(26(33)34)27-12-17-6-10-19(11-7-17)37(4,35)36/h6-7,10-11,13-15,18H,5,8-9,12H2,1-4H3,(H,27,31)/t15-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302182
PNG
(US9598415, 94)
Show SMILES CC[C@H](C)n1c2nc(ncc2nc(NCc2ccc(cn2)S(C)(=O)=O)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C25H28N8O3S/c1-5-14(2)33-24-19(12-28-22(32-24)20-15(3)29-13-30-21(20)16-6-7-16)31-23(25(33)34)27-10-17-8-9-18(11-26-17)37(4,35)36/h8-9,11-14,16H,5-7,10H2,1-4H3,(H,27,31)/t14-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302296
PNG
(US9598415, 208)
Show SMILES CNS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(OC)ncnc2C2CC2)nc1
Show InChI InChI=1S/C26H29N9O4S/c1-14(15-4-5-15)35-24-19(12-30-22(34-24)20-21(16-6-7-16)31-13-32-25(20)39-3)33-23(26(35)36)29-10-17-8-9-18(11-28-17)40(37,38)27-2/h8-9,11-16,27H,4-7,10H2,1-3H3,(H,29,33)/t14-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302188
PNG
(US9598415, 100)
Show SMILES CC[C@H](C)n1c2nc(ncc2nc(NCc2ccc(nc2)S(=O)(=O)CC)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C26H30N8O3S/c1-5-15(3)34-25-19(13-29-23(33-25)21-16(4)30-14-31-22(21)18-8-9-18)32-24(26(34)35)28-12-17-7-10-20(27-11-17)38(36,37)6-2/h7,10-11,13-15,18H,5-6,8-9,12H2,1-4H3,(H,28,32)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302270
PNG
(US9598415, 182)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@H](C)C3CCC3)c2=O)-c2c(OC)ncnc2C2CC2)nc1
Show InChI InChI=1S/C28H32N8O4S/c1-4-41(38,39)20-11-10-19(29-13-20)12-30-25-28(37)36(16(2)17-6-5-7-17)26-21(34-25)14-31-24(35-26)22-23(18-8-9-18)32-15-33-27(22)40-3/h10-11,13-18H,4-9,12H2,1-3H3,(H,30,34)/t16-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302278
PNG
(US9598415, 190)
Show SMILES CC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(cc2)S(C)(=O)=O)c1=O)-c1c(OC)ncnc1C1CC1
Show InChI InChI=1S/C26H29N7O4S/c1-5-15(2)33-24-19(13-28-22(32-24)20-21(17-8-9-17)29-14-30-25(20)37-3)31-23(26(33)34)27-12-16-6-10-18(11-7-16)38(4,35)36/h6-7,10-11,13-15,17H,5,8-9,12H2,1-4H3,(H,27,31)/t15-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302209
PNG
(US9598415, 121)
Show SMILES CC[C@H](C)n1c2nc(ncc2nc(NCc2ccc(nc2)S(=O)(=O)CC)c1=O)-c1c(OC)ncnc1C1CC1
Show InChI InChI=1S/C26H30N8O4S/c1-5-15(3)34-24-18(13-29-22(33-24)20-21(17-8-9-17)30-14-31-25(20)38-4)32-23(26(34)35)28-12-16-7-10-19(27-11-16)39(36,37)6-2/h7,10-11,13-15,17H,5-6,8-9,12H2,1-4H3,(H,28,32)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302231
PNG
(BDBM302232 | US9598415, 143)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2c(OC)ncnc2C2CC2)cc1
Show InChI InChI=1S/C26H29N7O4S/c1-5-38(35,36)18-10-6-16(7-11-18)12-27-23-26(34)33(15(2)3)24-19(31-23)13-28-22(32-24)20-21(17-8-9-17)29-14-30-25(20)37-4/h6-7,10-11,13-15,17H,5,8-9,12H2,1-4H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302311
PNG
(US9598415, 223)
Show SMILES CC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(nc2)S(=O)(=O)CC)c1=O)-c1c(CC)ncnc1C1CC1
Show InChI InChI=1S/C27H32N8O3S/c1-5-16(4)35-26-20(14-30-24(34-26)22-19(6-2)31-15-32-23(22)18-9-10-18)33-25(27(35)36)29-13-17-8-11-21(28-12-17)39(37,38)7-3/h8,11-12,14-16,18H,5-7,9-10,13H2,1-4H3,(H,29,33)/t16-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302211
PNG
(US9598415, 123)
Show SMILES COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(nc3)S(C)(=O)=O)c(=O)n([C@@H](C)C3CC3)c2n1
Show InChI InChI=1S/C26H28N8O4S/c1-14(16-5-6-16)34-24-18(12-29-22(33-24)20-21(17-7-8-17)30-13-31-25(20)38-2)32-23(26(34)35)28-11-15-4-9-19(27-10-15)39(3,36)37/h4,9-10,12-14,16-17H,5-8,11H2,1-3H3,(H,28,32)/t14-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302257
PNG
(US9598415, 169)
Show SMILES COCCS(=O)(=O)N1CCC(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(OC)ncnc2C2CC2)CC1
Show InChI InChI=1S/C28H38N8O5S/c1-17(19-4-5-19)36-26-21(15-30-24(34-26)22-23(20-6-7-20)31-16-32-27(22)41-3)33-25(28(36)37)29-14-18-8-10-35(11-9-18)42(38,39)13-12-40-2/h15-20H,4-14H2,1-3H3,(H,29,33)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302274
PNG
(US9598415, 186)
Show SMILES CC[C@@H](C)n1c2nc(ncc2nc(NCc2ncc(cn2)S(=O)(=O)CC)c1=O)-c1c(ncnc1C1CC1)C1CC1
Show InChI InChI=1S/C27H31N9O3S/c1-4-15(3)36-26-19(34-25(27(36)37)31-13-20-28-10-18(11-29-20)40(38,39)5-2)12-30-24(35-26)21-22(16-6-7-16)32-14-33-23(21)17-8-9-17/h10-12,14-17H,4-9,13H2,1-3H3,(H,31,34)/t15-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302298
PNG
(US9598415, 210)
Show SMILES CCc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(cc3)S(C)(=N)=O)c(=O)n([C@@H](C)C3CC3)c2n1
Show InChI InChI=1S/C28H32N8O2S/c1-4-21-23(24(19-9-10-19)33-15-32-21)25-31-14-22-27(35-25)36(16(2)18-7-8-18)28(37)26(34-22)30-13-17-5-11-20(12-6-17)39(3,29)38/h5-6,11-12,14-16,18-19,29H,4,7-10,13H2,1-3H3,(H,30,34)/t16-,39?/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302210
PNG
(US9598415, 122)
Show SMILES COc1ncnc(C2CC2)c1-c1ncc2nc(NCc3ccc(cn3)S(N)(=O)=O)c(=O)n(C(C)C)c2n1
Show InChI InChI=1S/C23H25N9O4S/c1-12(2)32-21-16(10-27-19(31-21)17-18(13-4-5-13)28-11-29-22(17)36-3)30-20(23(32)33)26-8-14-6-7-15(9-25-14)37(24,34)35/h6-7,9-13H,4-5,8H2,1-3H3,(H,26,30)(H2,24,34,35)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302314
PNG
(US9598415, 226)
Show SMILES CC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(cn2)S(C)(=O)=O)c1=O)-c1c(OC)ncnc1C1CC1
Show InChI InChI=1S/C25H28N8O4S/c1-5-14(2)33-23-18(12-28-21(32-23)19-20(15-6-7-15)29-13-30-24(19)37-3)31-22(25(33)34)27-10-16-8-9-17(11-26-16)38(4,35)36/h8-9,11-15H,5-7,10H2,1-4H3,(H,27,31)/t14-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302345
PNG
(US9598415, 257)
Show SMILES CC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(cn2)S(=O)(=O)CC)c1=O)-c1c(C)nc(N)nc1C1CC1
Show InChI InChI=1S/C26H31N9O3S/c1-5-14(3)35-24-19(13-30-22(34-24)20-15(4)31-26(27)33-21(20)16-7-8-16)32-23(25(35)36)29-11-17-9-10-18(12-28-17)39(37,38)6-2/h9-10,12-14,16H,5-8,11H2,1-4H3,(H,29,32)(H2,27,31,33)/t14-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302321
PNG
(US9598415, 233)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@H](C)C3CCC3)c2=O)-c2c(C)nc(N)nc2C2CC2)nc1
Show InChI InChI=1S/C28H33N9O3S/c1-4-41(39,40)20-11-10-19(30-13-20)12-31-25-27(38)37(16(3)17-6-5-7-17)26-21(34-25)14-32-24(36-26)22-15(2)33-28(29)35-23(22)18-8-9-18/h10-11,13-14,16-18H,4-9,12H2,1-3H3,(H,31,34)(H2,29,33,35)/t16-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302301
PNG
(US9598415, 213)
Show SMILES CCS(=O)(=O)c1cnc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)cn1
Show InChI InChI=1S/C26H29N9O3S/c1-4-39(37,38)20-12-27-18(9-28-20)10-29-24-26(36)35(15(3)16-5-6-16)25-19(33-24)11-30-23(34-25)21-14(2)31-13-32-22(21)17-7-8-17/h9,11-13,15-17H,4-8,10H2,1-3H3,(H,29,33)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302205
PNG
(US9598415, 117)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(CC3CCC3)c2=O)-c2c(OC)ncnc2C2CC2)nc1
Show InChI InChI=1S/C27H30N8O4S/c1-3-40(37,38)19-10-9-18(28-12-19)11-29-24-27(36)35(14-16-5-4-6-16)25-20(33-24)13-30-23(34-25)21-22(17-7-8-17)31-15-32-26(21)39-2/h9-10,12-13,15-17H,3-8,11,14H2,1-2H3,(H,29,33)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302284
PNG
(US9598415, 196)
Show SMILES CC[C@@H](C)n1c2nc(ncc2nc(NCc2ccc(cc2)S(N)(=O)=O)c1=O)-c1c(OC)ncnc1C1CC1
Show InChI InChI=1S/C25H28N8O4S/c1-4-14(2)33-23-18(12-28-21(32-23)19-20(16-7-8-16)29-13-30-24(19)37-3)31-22(25(33)34)27-11-15-5-9-17(10-6-15)38(26,35)36/h5-6,9-10,12-14,16H,4,7-8,11H2,1-3H3,(H,27,31)(H2,26,35,36)/t14-/m1/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302253
PNG
(US9598415, 165)
Show SMILES C[C@@H](C1CC1)n1c2nc(ncc2nc(NCC2CCN(CC2)S(=O)(=O)CC#N)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C27H33N9O3S/c1-16-22(23(20-5-6-20)32-15-31-16)24-30-14-21-26(34-24)36(17(2)19-3-4-19)27(37)25(33-21)29-13-18-7-10-35(11-8-18)40(38,39)12-9-28/h14-15,17-20H,3-8,10-13H2,1-2H3,(H,29,33)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302339
PNG
(US9598415, 251)
Show SMILES CCc1nc(N)nc(C2CC2)c1-c1ncc2nc(NCc3ccc(cn3)S(=O)(=O)C3CC3)c(=O)n([C@@H](C)C3CC3)c2n1
Show InChI InChI=1S/C29H33N9O3S/c1-3-21-23(24(17-6-7-17)36-29(30)35-21)25-33-14-22-27(37-25)38(15(2)16-4-5-16)28(39)26(34-22)32-12-18-8-9-20(13-31-18)42(40,41)19-10-11-19/h8-9,13-17,19H,3-7,10-12H2,1-2H3,(H,32,34)(H2,30,35,36)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302251
PNG
(US9598415, 163)
Show SMILES CCS(=O)(=O)N1C[C@H]2C(CNc3nc4cnc(nc4n([C@@H](C)C4CC4)c3=O)-c3c(C)ncnc3C3CC3)[C@H]2C1
Show InChI InChI=1S/C27H34N8O3S/c1-4-39(37,38)34-11-19-18(20(19)12-34)9-28-25-27(36)35(15(3)16-5-6-16)26-21(32-25)10-29-24(33-26)22-14(2)30-13-31-23(22)17-7-8-17/h10,13,15-20H,4-9,11-12H2,1-3H3,(H,28,32)/t15-,18?,19-,20+/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302226
PNG
(US9598415, 138)
Show SMILES CCS(=O)(=O)N1CCC(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)ncnc2C2CC2)CC1
Show InChI InChI=1S/C27H36N8O3S/c1-4-39(37,38)34-11-9-18(10-12-34)13-28-25-27(36)35(17(3)19-5-6-19)26-21(32-25)14-29-24(33-26)22-16(2)30-15-31-23(22)20-7-8-20/h14-15,17-20H,4-13H2,1-3H3,(H,28,32)/t17-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302216
PNG
(US9598415, 128)
Show SMILES C[C@@H](C1CC1)n1c2nc(ncc2nc(NCc2ccc(nc2)S(C)(=O)=O)c1=O)-c1c(C)ncnc1C1CC1
Show InChI InChI=1S/C26H28N8O3S/c1-14-21(22(18-7-8-18)31-13-30-14)23-29-12-19-25(33-23)34(15(2)17-5-6-17)26(35)24(32-19)28-11-16-4-9-20(27-10-16)38(3,36)37/h4,9-10,12-13,15,17-18H,5-8,11H2,1-3H3,(H,28,32)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302305
PNG
(US9598415, 217)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n([C@@H](C)C3CC3)c2=O)-c2c(C)nc(N)nc2C2CC2)nc1
Show InChI InChI=1S/C27H31N9O3S/c1-4-40(38,39)19-10-9-18(29-12-19)11-30-24-26(37)36(15(3)16-5-6-16)25-20(33-24)13-31-23(35-25)21-14(2)32-27(28)34-22(21)17-7-8-17/h9-10,12-13,15-17H,4-8,11H2,1-3H3,(H,30,33)(H2,28,32,34)/t15-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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


(Homo sapiens (Human))
BDBM302231
PNG
(BDBM302232 | US9598415, 143)
Show SMILES CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2c(OC)ncnc2C2CC2)cc1
Show InChI InChI=1S/C26H29N7O4S/c1-5-38(35,36)18-10-6-16(7-11-18)12-27-23-26(34)33(15(2)3)24-19(31-23)13-28-22(32-24)20-21(17-8-9-17)29-14-30-25(20)37-4/h6-7,10-11,13-15,17H,5,8-9,12H2,1-4H3,(H,27,31)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
A nuclear receptor transactivation assay is performed to quantitate the ability of test compounds to inhibit RORγ transactivation of a luciferas...


US Patent US9598415 (2017)

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