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USPatent US9663502

Compile Data Set for Download or QSAR

Found 580 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))
BDBM328480
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2- yl (2-(aceta...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(C)c1
Show InChI InChI=1S/C23H25F4N3O6S/c1-13-9-17(6-7-18(13)24)37(33,34)30-12-16(11-28-14(2)31)35-20-8-5-15(10-19(20)30)29-21(32)36-22(3,4)23(25,26)27/h5-10,16H,11-12H2,1-4H3,(H,28,31)(H,29,32)/t16-/m0/s1
PDB

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UniChem
US Patent
n/an/a 2.19n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328551
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2-yl (2-(acetam...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(c1)C1CC1
Show InChI InChI=1S/C25H27F4N3O6S/c1-14(33)30-12-17-13-32(39(35,36)18-7-8-20(26)19(11-18)15-4-5-15)21-10-16(6-9-22(21)37-17)31-23(34)38-24(2,3)25(27,28)29/h6-11,15,17H,4-5,12-13H2,1-3H3,(H,30,33)(H,31,34)/t17-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/a 2.19n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328481
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2- yl (2-(aceta...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C23H25F4N3O7S/c1-13(31)28-11-15-12-30(38(33,34)16-6-7-17(24)20(10-16)35-4)18-9-14(5-8-19(18)36-15)29-21(32)37-22(2,3)23(25,26)27/h5-10,15H,11-12H2,1-4H3,(H,28,31)(H,29,32)/t15-/m0/s1
PDB

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UniChem
US Patent
n/an/a 2.43n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328552
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2-yl (2-(acetam...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1cccc(c1)C1CC1
Show InChI InChI=1S/C25H28F3N3O6S/c1-15(32)29-13-19-14-31(38(34,35)20-6-4-5-17(11-20)16-7-8-16)21-12-18(9-10-22(21)36-19)30-23(33)37-24(2,3)25(26,27)28/h4-6,9-12,16,19H,7-8,13-14H2,1-3H3,(H,29,32)(H,30,33)/t19-/m0/s1
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US Patent
n/an/a 2.48n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328494
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2- yl (2-(aceta...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1cccc(OC(F)F)c1
Show InChI InChI=1S/C23H24F5N3O7S/c1-13(32)29-11-16-12-31(39(34,35)17-6-4-5-15(10-17)37-20(24)25)18-9-14(7-8-19(18)36-16)30-21(33)38-22(2,3)23(26,27)28/h4-10,16,20H,11-12H2,1-3H3,(H,29,32)(H,30,33)/t16-/m0/s1
PDB

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US Patent
n/an/a 2.57n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328477
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2- yl (2-(aceta...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H22ClF4N3O6S/c1-12(31)28-10-14-11-30(37(33,34)15-5-6-17(24)16(23)9-15)18-8-13(4-7-19(18)35-14)29-20(32)36-21(2,3)22(25,26)27/h4-9,14H,10-11H2,1-3H3,(H,28,31)(H,29,32)/t14-/m0/s1
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US Patent
n/an/a 2.64n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328838
PNG
((S)-tert-butyl (4-((3-chloro-4- fluorophenyl)sulfo...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc2O[C@@H](CNS(C)(=O)=O)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H25ClFN3O7S2/c1-21(2,3)33-20(27)25-13-5-8-19-18(9-13)26(12-14(32-19)11-24-34(4,28)29)35(30,31)15-6-7-17(23)16(22)10-15/h5-10,14,24H,11-12H2,1-4H3,(H,25,27)/t14-/m0/s1
PDB

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US Patent
n/an/a 2.68n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328435
PNG
((S)-tert-butyl (2- (acetamidomethyl)-4-((3- (trifl...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C)ccc2O1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H26F3N3O6S/c1-14(30)27-12-17-13-29(36(32,33)18-7-5-6-15(10-18)23(24,25)26)19-11-16(8-9-20(19)34-17)28-21(31)35-22(2,3)4/h5-11,17H,12-13H2,1-4H3,(H,27,30)(H,28,31)/t17-/m0/s1
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US Patent
n/an/a 2.70n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328637
PNG
((S)-1,1,1-trifluoro-3,3- dimethylbutan-2-yl ((S)-2...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)O[C@@H](C(C)(C)C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H27F4N3O6S/c1-14(32)29-12-17-13-31(38(34,35)18-8-5-15(25)6-9-18)19-11-16(7-10-20(19)36-17)30-22(33)37-21(23(2,3)4)24(26,27)28/h5-11,17,21H,12-13H2,1-4H3,(H,29,32)(H,30,33)/t17-,21-/m0/s1
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US Patent
n/an/a 2.77n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328495
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2- yl (2-(aceta...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C23H23F6N3O7S/c1-13(33)30-11-16-12-32(40(35,36)17-6-4-5-15(10-17)38-23(27,28)29)18-9-14(7-8-19(18)37-16)31-20(34)39-21(2,3)22(24,25)26/h4-10,16H,11-12H2,1-3H3,(H,30,33)(H,31,34)/t16-/m0/s1
PDB

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US Patent
n/an/a 2.86n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328819
PNG
((S)-tert-butyl (4-((3-chloro-4- fluorophenyl)sulfo...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc2O[C@@H](CNS(=O)(=O)C3CC3)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C23H27ClFN3O7S2/c1-23(2,3)35-22(29)27-14-4-9-21-20(10-14)28(37(32,33)17-7-8-19(25)18(24)11-17)13-15(34-21)12-26-36(30,31)16-5-6-16/h4,7-11,15-16,26H,5-6,12-13H2,1-3H3,(H,27,29)/t15-/m0/s1
PDB

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US Patent
n/an/a 2.92n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328811
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2-yl (2-(cyclop...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CNS(=O)(=O)C2CC2)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C24H27F4N3O8S2/c1-23(2,24(26,27)28)39-22(32)30-14-4-9-20-19(10-14)31(13-15(38-20)12-29-40(33,34)16-5-6-16)41(35,36)17-7-8-18(25)21(11-17)37-3/h4,7-11,15-16,29H,5-6,12-13H2,1-3H3,(H,30,32)/t15-/m0/s1
PDB

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US Patent
n/an/a 2.99n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328840
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2-yl (4-((3-chl...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNS(C)(=O)=O)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C21H22ClF4N3O7S2/c1-20(2,21(24,25)26)36-19(30)28-12-4-7-18-17(8-12)29(11-13(35-18)10-27-37(3,31)32)38(33,34)14-5-6-16(23)15(22)9-14/h4-9,13,27H,10-11H2,1-3H3,(H,28,30)/t13-/m0/s1
PDB

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UniChem
US Patent
n/an/a 3.05n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328797
PNG
(1,1,1-trifluoro-2-methylpropan- 2-yl ((S)-4-((1- (...)
Show SMILES CCOc1nn(cc1S(=O)(=O)N1C[C@H](CNC(=O)[C@@H]2C[C@@H]2F)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12)C(F)F
Show InChI InChI=1S/C24H27F6N5O7S/c1-4-40-20-18(11-34(33-20)21(26)27)43(38,39)35-10-13(9-31-19(36)14-8-15(14)25)41-17-6-5-12(7-16(17)35)32-22(37)42-23(2,3)24(28,29)30/h5-7,11,13-15,21H,4,8-10H2,1-3H3,(H,31,36)(H,32,37)/t13-,14+,15-/m0/s1
PDB

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US Patent
n/an/a 3.07n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328605
PNG
((S)-1- (trifluoromethyl)cyclohexyl (2-(acetamidom...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC3(CCCCC3)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H27F4N3O6S/c1-16(33)30-14-19-15-32(39(35,36)20-8-5-17(26)6-9-20)21-13-18(7-10-22(21)37-19)31-23(34)38-24(25(27,28)29)11-3-2-4-12-24/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H,30,33)(H,31,34)/t19-/m0/s1
PDB

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US Patent
n/an/a 3.24n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328874
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2-yl (4-((4-flu...)
Show SMILES CN(C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H25F4N3O7S2/c1-21(2,22(24,25)26)36-20(30)27-15-7-10-19-18(11-15)29(13-16(35-19)12-28(3)37(4,31)32)38(33,34)17-8-5-14(23)6-9-17/h5-11,16H,12-13H2,1-4H3,(H,27,30)/t16-/m0/s1
PDB

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US Patent
n/an/a 3.28n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328479
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2- yl (2-(aceta...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H22F7N3O6S/c1-12(34)31-10-14-11-33(40(36,37)15-5-6-17(24)16(9-15)22(25,26)27)18-8-13(4-7-19(18)38-14)32-20(35)39-21(2,3)23(28,29)30/h4-9,14H,10-11H2,1-3H3,(H,31,34)(H,32,35)/t14-/m0/s1
PDB

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UniChem
US Patent
n/an/a 3.35n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328740
PNG
((S)-1,1,1-trifluoro-2- methylpropan-2-yl (4-((3- c...)
Show SMILES CC(C)(O)C(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H26ClF4N3O7S/c1-22(2,35)20(33)30-11-14-12-32(40(36,37)15-6-7-17(26)16(25)10-15)18-9-13(5-8-19(18)38-14)31-21(34)39-23(3,4)24(27,28)29/h5-10,14,35H,11-12H2,1-4H3,(H,30,33)(H,31,34)/t14-/m0/s1
PDB

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US Patent
n/an/a 3.49n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328509
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2- yl (2-(aceta...)
Show SMILES COc1nn2CCCCc2c1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C24H30F3N5O7S/c1-14(33)28-12-16-13-32(40(35,36)20-17-7-5-6-10-31(17)30-21(20)37-4)18-11-15(8-9-19(18)38-16)29-22(34)39-23(2,3)24(25,26)27/h8-9,11,16H,5-7,10,12-13H2,1-4H3,(H,28,33)(H,29,34)/t16-/m0/s1
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n/an/a 3.61n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328626
PNG
(2-(trifluoromethyl)cyclohexyl ((S)- 2-(acetamidome...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC3CCCCC3C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H27F4N3O6S/c1-15(33)30-13-18-14-32(39(35,36)19-9-6-16(26)7-10-19)21-12-17(8-11-23(21)37-18)31-24(34)38-22-5-3-2-4-20(22)25(27,28)29/h6-12,18,20,22H,2-5,13-14H2,1H3,(H,30,33)(H,31,34)/t18-,20?,22?/m0/s1
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n/an/a 3.67n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328630
PNG
((1S,2R)-2- (trifluoromethyl)cyclohexyl ((S)-2- (ac...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)O[C@H]3CCCC[C@H]3C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H27F4N3O6S/c1-15(33)30-13-18-14-32(39(35,36)19-9-6-16(26)7-10-19)21-12-17(8-11-23(21)37-18)31-24(34)38-22-5-3-2-4-20(22)25(27,28)29/h6-12,18,20,22H,2-5,13-14H2,1H3,(H,30,33)(H,31,34)/t18-,20+,22-/m0/s1
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n/an/a 3.77n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328935
PNG
(2,2,2-trifluoro-1,1-dimethylethyl [(2S)-4- {[2-(2-...)
Show SMILES CC(C)(O)C(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1c(OCCO)nn2ccccc12
Show InChI InChI=1S/C27H32F3N5O9S/c1-25(2,39)23(37)31-14-17-15-35(45(40,41)21-18-7-5-6-10-34(18)33-22(21)42-12-11-36)19-13-16(8-9-20(19)43-17)32-24(38)44-26(3,4)27(28,29)30/h5-10,13,17,36,39H,11-12,14-15H2,1-4H3,(H,31,37)(H,32,38)/t17-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328805
PNG
((S)-4-((2- (cyclopropanesulfonamidomethyl)-6- ((((...)
Show SMILES Cc1nn(cc1S(=O)(=O)N1C[C@H](CNS(=O)(=O)C2CC2)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12)C(F)F
Show InChI InChI=1S/C22H26F5N5O7S2/c1-12-18(11-31(30-12)19(23)24)41(36,37)32-10-14(9-28-40(34,35)15-5-6-15)38-17-7-4-13(8-16(17)32)29-20(33)39-21(2,3)22(25,26)27/h4,7-8,11,14-15,19,28H,5-6,9-10H2,1-3H3,(H,29,33)/t14-/m0/s1
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n/an/a 3.82n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328828
PNG
((S)-4-((2- (cyclopropanesulfonamidomethyl)-6- ((((...)
Show SMILES CCOc1nn(cc1S(=O)(=O)N1C[C@H](CNS(=O)(=O)C2CC2)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12)C(F)F
Show InChI InChI=1S/C23H28F5N5O8S2/c1-4-39-19-18(12-32(31-19)20(24)25)43(37,38)33-11-14(10-29-42(35,36)15-6-7-15)40-17-8-5-13(9-16(17)33)30-21(34)41-22(2,3)23(26,27)28/h5,8-9,12,14-15,20,29H,4,6-7,10-11H2,1-3H3,(H,30,34)/t14-/m0/s1
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n/an/a 3.84n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328798
PNG
((S)-1,1,1-trifluoro-2- methylpropan-2-yl (4-((1- (...)
Show SMILES CCOc1nn(cc1S(=O)(=O)N1C[C@H](CNC(=O)C(C)(C)O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12)C(F)F
Show InChI InChI=1S/C24H30F5N5O8S/c1-6-40-18-17(12-33(32-18)20(25)26)43(38,39)34-11-14(10-30-19(35)22(2,3)37)41-16-8-7-13(9-15(16)34)31-21(36)42-23(4,5)24(27,28)29/h7-9,12,14,20,37H,6,10-11H2,1-5H3,(H,30,35)(H,31,36)/t14-/m0/s1
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n/an/a 3.86n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328756
PNG
((S)-1,1,1-trifluoro-2- methylpropan-2-yl (4-((3- c...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNC(=O)C3(C)COC3)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N3O7S/c1-23(2,25(28,29)30)40-22(35)32-14-4-7-20-19(8-14)33(41(36,37)16-5-6-18(27)17(26)9-16)11-15(39-20)10-31-21(34)24(3)12-38-13-24/h4-9,15H,10-13H2,1-3H3,(H,31,34)(H,32,35)/t15-/m0/s1
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n/an/a 3.87n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328716
PNG
((S)-1,1,1-trifluoro-2- methylpropan-2-yl (4-((4- f...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@H](CNC(=O)CC3CCOCC3)CN(c2c1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C27H31F4N3O7S/c1-26(2,27(29,30)31)41-25(36)33-19-5-8-23-22(14-19)34(42(37,38)21-6-3-18(28)4-7-21)16-20(40-23)15-32-24(35)13-17-9-11-39-12-10-17/h3-8,14,17,20H,9-13,15-16H2,1-2H3,(H,32,35)(H,33,36)/t20-/m1/s1
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n/an/a 3.92n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328837
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2-yl (4-((4-flu...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNS(C)(=O)=O)CN(c2c1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C21H23F4N3O7S2/c1-20(2,21(23,24)25)35-19(29)27-14-6-9-18-17(10-14)28(12-15(34-18)11-26-36(3,30)31)37(32,33)16-7-4-13(22)5-8-16/h4-10,15,26H,11-12H2,1-3H3,(H,27,29)/t15-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328742
PNG
(1,1,1-trifluoro-2-methylpropan- 2-yl ((S)-2-(((1R,...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNC(=O)[C@@H]3C[C@@H]3C#N)CN(c2c1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H24F4N4O6S/c1-24(2,25(27,28)29)39-23(35)32-16-5-8-21-20(10-16)33(40(36,37)18-6-3-15(26)4-7-18)13-17(38-21)12-31-22(34)19-9-14(19)11-30/h3-8,10,14,17,19H,9,12-13H2,1-2H3,(H,31,34)(H,32,35)/t14-,17+,19-/m1/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328821
PNG
((S)-4-((6-((tert- butoxycarbonyl)amino)-2- (cyclop...)
Show SMILES Cc1nn(cc1S(=O)(=O)N1C[C@H](CNS(=O)(=O)C2CC2)Oc2ccc(NC(=O)OC(C)(C)C)cc12)C(F)F
Show InChI InChI=1S/C22H29F2N5O7S2/c1-13-19(12-28(27-13)20(23)24)38(33,34)29-11-15(10-25-37(31,32)16-6-7-16)35-18-8-5-14(9-17(18)29)26-21(30)36-22(2,3)4/h5,8-9,12,15-16,20,25H,6-7,10-11H2,1-4H3,(H,26,30)/t15-/m0/s1
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n/an/a 3.96n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328448
PNG
((S)-tert-butyl (2- (acetamidomethyl)-4-((4-fluoro-...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C)ccc2O1)S(=O)(=O)c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N3O6S/c1-13(31)28-11-15-12-30(37(33,34)16-6-7-18(24)17(10-16)23(25,26)27)19-9-14(5-8-20(19)35-15)29-21(32)36-22(2,3)4/h5-10,15H,11-12H2,1-4H3,(H,28,31)(H,29,32)/t15-/m0/s1
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n/an/a 3.99n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328940
PNG
(2,2,2-trifluoro-1,1-dimethylethyl [(2S)-2- [(acety...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1c(OCCO)nn2ccccc12
Show InChI InChI=1S/C25H28F3N5O8S/c1-15(35)29-13-17-14-33(42(37,38)21-18-6-4-5-9-32(18)31-22(21)39-11-10-34)19-12-16(7-8-20(19)40-17)30-23(36)41-24(2,3)25(26,27)28/h4-9,12,17,34H,10-11,13-14H2,1-3H3,(H,29,35)(H,30,36)/t17-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328833
PNG
((S)-tert-butyl (4-((4-fluoro-3- methoxyphenyl)sulf...)
Show SMILES COc1cc(ccc1F)S(=O)(=O)N1C[C@H](CNS(C)(=O)=O)Oc2ccc(NC(=O)OC(C)(C)C)cc12
Show InChI InChI=1S/C22H28FN3O8S2/c1-22(2,3)34-21(27)25-14-6-9-19-18(10-14)26(13-15(33-19)12-24-35(5,28)29)36(30,31)16-7-8-17(23)20(11-16)32-4/h6-11,15,24H,12-13H2,1-5H3,(H,25,27)/t15-/m0/s1
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n/an/a 4.09n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328804
PNG
(US9663502, 35)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNS(=O)(=O)C3CC3)CN(c2c1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N3O7S2/c1-22(2,23(25,26)27)37-21(31)29-15-5-10-20-19(11-15)30(39(34,35)18-6-3-14(24)4-7-18)13-16(36-20)12-28-38(32,33)17-8-9-17/h3-7,10-11,16-17,28H,8-9,12-13H2,1-2H3,(H,29,31)/t16-/m0/s1
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n/an/a 4.14n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328812
PNG
((S)-tert-butyl (2- (cyclopropanesulfonamidomethyl)...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc2O[C@@H](CNS(=O)(=O)C3CC3)CN(c2c1)S(=O)(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H27F2N3O7S2/c1-23(2,3)35-22(29)27-14-4-9-21-20(10-14)28(37(32,33)17-7-8-18(24)19(25)11-17)13-15(34-21)12-26-36(30,31)16-5-6-16/h4,7-11,15-16,26H,5-6,12-13H2,1-3H3,(H,27,29)/t15-/m0/s1
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n/an/a 4.16n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328854
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2- yl (2- ((chl...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNS(=O)(=O)CCl)CN(c2c1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C21H22ClF4N3O7S2/c1-20(2,21(24,25)26)36-19(30)28-14-5-8-18-17(9-14)29(11-15(35-18)10-27-37(31,32)12-22)38(33,34)16-6-3-13(23)4-7-16/h3-9,15,27H,10-12H2,1-2H3,(H,28,30)/t15-/m0/s1
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n/an/a 4.18n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328446
PNG
((S)-tert-butyl (2- (acetamidomethyl)-4-((3-chloro-...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C22H25ClFN3O6S/c1-13(28)25-11-15-12-27(34(30,31)16-6-7-18(24)17(23)10-16)19-9-14(5-8-20(19)32-15)26-21(29)33-22(2,3)4/h5-10,15H,11-12H2,1-4H3,(H,25,28)(H,26,29)/t15-/m0/s1
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n/an/a 4.25n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328814
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2-yl (4-((3-cya...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNS(=O)(=O)C3CC3)CN(c2c1)S(=O)(=O)c1cccc(c1)C#N)C(F)(F)F
Show InChI InChI=1S/C24H25F3N4O7S2/c1-23(2,24(25,26)27)38-22(32)30-16-6-9-21-20(11-16)31(40(35,36)19-5-3-4-15(10-19)12-28)14-17(37-21)13-29-39(33,34)18-7-8-18/h3-6,9-11,17-18,29H,7-8,13-14H2,1-2H3,(H,30,32)/t17-/m0/s1
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n/an/a 4.27n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328794
PNG
(1,1,1-trifluoro-2-methylpropan- 2-yl ((S)-4-((3- (...)
Show SMILES CCn1cc(c(OC(F)F)n1)S(=O)(=O)N1C[C@H](CNC(=O)[C@@H]2C[C@@H]2F)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C24H27F6N5O7S/c1-4-34-11-18(20(33-34)41-21(26)27)43(38,39)35-10-13(9-31-19(36)14-8-15(14)25)40-17-6-5-12(7-16(17)35)32-22(37)42-23(2,3)24(28,29)30/h5-7,11,13-15,21H,4,8-10H2,1-3H3,(H,31,36)(H,32,37)/t13-,14+,15-/m0/s1
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n/an/a 4.35n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328818
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2-yl (4-((3-chl...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNS(=O)(=O)C3CC3)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C23H24ClF4N3O7S2/c1-22(2,23(26,27)28)38-21(32)30-13-3-8-20-19(9-13)31(40(35,36)16-6-7-18(25)17(24)10-16)12-14(37-20)11-29-39(33,34)15-4-5-15/h3,6-10,14-15,29H,4-5,11-12H2,1-2H3,(H,30,32)/t14-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328490
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2- yl (2-(aceta...)
Show SMILES CCn1cc(c(Cl)n1)S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12
Show InChI InChI=1S/C21H25ClF3N5O6S/c1-5-29-11-17(18(22)28-29)37(33,34)30-10-14(9-26-12(2)31)35-16-7-6-13(8-15(16)30)27-19(32)36-20(3,4)21(23,24)25/h6-8,11,14H,5,9-10H2,1-4H3,(H,26,31)(H,27,32)/t14-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328752
PNG
((S)-1,1,1-trifluoro-2- methylpropan-2-yl (4-((3- c...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNC(=O)C3COC3)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C24H24ClF4N3O7S/c1-23(2,24(27,28)29)39-22(34)31-14-3-6-20-19(7-14)32(40(35,36)16-4-5-18(26)17(25)8-16)10-15(38-20)9-30-21(33)13-11-37-12-13/h3-8,13,15H,9-12H2,1-2H3,(H,30,33)(H,31,34)/t15-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328876
PNG
((S)-1,1,1-trifluoro-2- methylpropan-2-yl (4-((3-ch...)
Show SMILES CN(C[C@H]1CN(c2cc(NC(=O)OC(C)(C)C(F)(F)F)ccc2O1)S(=O)(=O)c1ccc(F)c(Cl)c1)S(C)(=O)=O
Show InChI InChI=1S/C22H24ClF4N3O7S2/c1-21(2,22(25,26)27)37-20(31)28-13-5-8-19-18(9-13)30(12-14(36-19)11-29(3)38(4,32)33)39(34,35)15-6-7-17(24)16(23)10-15/h5-10,14H,11-12H2,1-4H3,(H,28,31)/t14-/m0/s1
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n/an/a 4.38n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328525
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2- yl (2-(aceta...)
Show SMILES CCOc1nn(cc1S(=O)(=O)N1C[C@H](CNC(C)=O)Oc2ccc(NC(=O)OC(C)(C)C(F)(F)F)cc12)C(F)F
Show InChI InChI=1S/C22H26F5N5O7S/c1-5-37-18-17(11-31(30-18)19(23)24)40(35,36)32-10-14(9-28-12(2)33)38-16-7-6-13(8-15(16)32)29-20(34)39-21(3,4)22(25,26)27/h6-8,11,14,19H,5,9-10H2,1-4H3,(H,28,33)(H,29,34)/t14-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328755
PNG
(1,1,1-trifluoro-2-methylpropan- 2-yl ((S)-4-((3-ch...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNC(=O)[C@@H]3C[C@@H]3F)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C24H23ClF5N3O6S/c1-23(2,24(28,29)30)39-22(35)32-12-3-6-20-19(7-12)33(40(36,37)14-4-5-17(26)16(25)8-14)11-13(38-20)10-31-21(34)15-9-18(15)27/h3-8,13,15,18H,9-11H2,1-2H3,(H,31,34)(H,32,35)/t13-,15+,18-/m0/s1
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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328806
PNG
((S)-1,1,1-trifluoro-2-methylpropan-2-yl (2-(cyclop...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNS(=O)(=O)C3CC3)CN(c2c1)S(=O)(=O)c1ccc(F)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C23H24F5N3O7S2/c1-22(2,23(26,27)28)38-21(32)30-13-3-8-20-19(9-13)31(40(35,36)16-6-7-17(24)18(25)10-16)12-14(37-20)11-29-39(33,34)15-4-5-15/h3,6-10,14-15,29H,4-5,11-12H2,1-2H3,(H,30,32)/t14-/m0/s1
PDB

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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328771
PNG
(1,1,1-trifluoro-2-methylpropan- 2-yl ((2S)-4-((3-c...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNC(=O)C3CCCO3)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C25H26ClF4N3O7S/c1-24(2,25(28,29)30)40-23(35)32-14-5-8-20-19(10-14)33(41(36,37)16-6-7-18(27)17(26)11-16)13-15(39-20)12-31-22(34)21-4-3-9-38-21/h5-8,10-11,15,21H,3-4,9,12-13H2,1-2H3,(H,31,34)(H,32,35)/t15-,21?/m0/s1
PDB

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n/an/a 4.47n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328757
PNG
((S)-1,1,1-trifluoro-2- methylpropan-2-yl (2-((3- a...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNC(=O)C3(N)COC3)CN(c2c1)S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C24H25ClF4N4O7S/c1-22(2,24(27,28)29)40-21(35)32-13-3-6-19-18(7-13)33(41(36,37)15-4-5-17(26)16(25)8-15)10-14(39-19)9-31-20(34)23(30)11-38-12-23/h3-8,14H,9-12,30H2,1-2H3,(H,31,34)(H,32,35)/t14-/m0/s1
PDB

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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328788
PNG
(1,1,1-trifluoro-2-methylpropan- 2-yl ((S)-2-(((1R,...)
Show SMILES CC(C)(OC(=O)Nc1ccc2O[C@@H](CNC(=O)[C@@H]3C[C@@H]3C#N)CN(c2c1)S(=O)(=O)c1ccc(F)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C25H23F5N4O6S/c1-24(2,25(28,29)30)40-23(36)33-14-3-6-21-20(8-14)34(41(37,38)16-4-5-18(26)19(27)9-16)12-15(39-21)11-32-22(35)17-7-13(17)10-31/h3-6,8-9,13,15,17H,7,11-12H2,1-2H3,(H,32,35)(H,33,36)/t13-,15+,17-/m1/s1
PDB

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n/an/a 4.59n/an/an/an/an/an/a



Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

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


(Homo sapiens (Human))
BDBM328449
PNG
((S)-tert-butyl (2- (acetamidomethyl)-4-((5- (trifl...)
Show SMILES CC(=O)NC[C@H]1CN(c2cc(NC(=O)OC(C)(C)C)ccc2O1)S(=O)(=O)c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N4O6S/c1-13(30)27-10-16-12-29(36(32,33)17-7-14(9-26-11-17)22(23,24)25)18-8-15(5-6-19(18)34-16)28-20(31)35-21(2,3)4/h5-9,11,16H,10,12H2,1-4H3,(H,27,30)(H,28,31)/t16-/m0/s1
PDB

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Lycera Corporation; Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., a biochemical TR-FRET assay....


US Patent US9663502 (2017)

More data for this
Ligand-Target Pair
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