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Patent code US9845308

Compile Data Set for Download or QSAR
Found 66 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))
BDBM362862
PNG
(US9845308, Example 3a)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1/C30H39F3N2O4S/c1-4-40(38,39)25-12-7-21(8-13-25)27(18-36)34-29(37)22-9-14-26-23(15-22)17-35(28(26)19(2)3)16-20-5-10-24(11-6-20)30(31,32)33/h7-9,12-15,19-20,24,27-28,36H,4-6,10-11,16-18H2,1-3H3,(H,34,37)/t20-,24-,27-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362900
PNG
((S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-is...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@@H](C(C)C)N(CC4CCC(OC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1/C27H34F3N3O4S/c1-4-38(35,36)22-8-7-21(31-13-22)12-32-26(34)19-6-9-23-20(11-19)15-33(25(23)17(2)3)14-18-5-10-24(37-16-18)27(28,29)30/h6-9,11,13,17-18,24-25H,4-5,10,12,14-16H2,1-3H3,(H,32,34)/t18?,24?,25-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362899
PNG
((S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-is...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(CC4CCC(OC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1/C27H34F3N3O4S/c1-4-38(35,36)22-8-7-21(31-13-22)12-32-26(34)19-6-9-23-20(11-19)15-33(25(23)17(2)3)14-18-5-10-24(37-16-18)27(28,29)30/h6-9,11,13,17-18,24-25H,4-5,10,12,14-16H2,1-3H3,(H,32,34)/t18?,24?,25-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362905
PNG
(US9845308, Example 20a)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)N[C@@H](CCO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1/C29H38F3N3O4S/c1-3-27-24-11-7-20(15-21(24)18-35(27)17-19-5-8-22(9-6-19)29(30,31)32)28(37)34-26(13-14-36)25-12-10-23(16-33-25)40(38,39)4-2/h7,10-12,15-16,19,22,26-27,36H,3-6,8-9,13-14,17-18H2,1-2H3,(H,34,37)/t19-,22-,26-,27-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362909
PNG
(US9845308, Example 22)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)NC
Show InChI InChI=1/C27H34F3N3O3S/c1-3-25-24-13-8-20(26(34)32-15-18-6-11-23(12-7-18)37(35,36)31-2)14-21(24)17-33(25)16-19-4-9-22(10-5-19)27(28,29)30/h6-8,11-14,19,22,25,31H,3-5,9-10,15-17H2,1-2H3,(H,32,34)/t19-,22-,25-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362912
PNG
((R)-2-(-1-ethyl-2-((trans-4-(trifluoromethyl)cyclo...)
Show SMILES CC[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)N[C@@H](COC(N)=O)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1/C30H38F3N3O5S/c1-3-27-25-14-9-21(15-22(25)17-36(27)16-19-5-10-23(11-6-19)30(31,32)33)28(37)35-26(18-41-29(34)38)20-7-12-24(13-8-20)42(39,40)4-2/h7-9,12-15,19,23,26-27H,3-6,10-11,16-18H2,1-2H3,(H2,34,38)(H,35,37)/t19-,23-,26-,27+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362840
PNG
(N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-isopro...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1/C28H36F3N3O3S/c1-4-38(36,37)24-11-10-23(32-15-24)14-33-27(35)20-7-12-25-21(13-20)17-34(26(25)18(2)3)16-19-5-8-22(9-6-19)28(29,30)31/h7,10-13,15,18-19,22,26H,4-6,8-9,14,16-17H2,1-3H3,(H,33,35)/t19-,22-,26-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362860
PNG
(US9845308, Example 2c)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](CO)NC(=O)c1ccc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1/C29H38F3N3O4S/c1-4-40(38,39)23-10-12-25(33-14-23)26(17-36)34-28(37)20-7-11-24-21(13-20)16-35(27(24)18(2)3)15-19-5-8-22(9-6-19)29(30,31)32/h7,10-14,18-19,22,26-27,36H,4-6,8-9,15-17H2,1-3H3,(H,34,37)/t19-,22-,26-,27+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362914
PNG
(1-ethyl-N-((S)-1-(4-(ethylsulfonyl)phenyl)-3-hydro...)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)N[C@@H](CC(=O)OC)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1/C31H39F3N2O5S/c1-4-28-26-15-10-22(16-23(26)19-36(28)18-20-6-11-24(12-7-20)31(32,33)34)30(38)35-27(17-29(37)41-3)21-8-13-25(14-9-21)42(39,40)5-2/h8-10,13-16,20,24,27-28H,4-7,11-12,17-19H2,1-3H3,(H,35,38)/t20-,24-,27-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362872
PNG
(US9845308, Example 6a)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CCO)NC(=O)c1ccc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1/C31H41F3N2O4S/c1-4-41(39,40)26-12-7-22(8-13-26)28(15-16-37)35-30(38)23-9-14-27-24(17-23)19-36(29(27)20(2)3)18-21-5-10-25(11-6-21)31(32,33)34/h7-9,12-14,17,20-21,25,28-29,37H,4-6,10-11,15-16,18-19H2,1-3H3,(H,35,38)/t21-,25-,28-,29-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362876
PNG
((S)-2-((-4-ethoxycyclohexyl)methyl)-N-((R)-1-(4-(e...)
Show SMILES CCO[C@H]1CC[C@H](CN2Cc3cc(ccc3[C@@H]2C(C)C)C(=O)N[C@@H](CO)c2ccc(cc2)S(=O)(=O)CC)CC1
Show InChI InChI=1/C31H44N2O5S/c1-5-38-26-12-7-22(8-13-26)18-33-19-25-17-24(11-16-28(25)30(33)21(3)4)31(35)32-29(20-34)23-9-14-27(15-10-23)39(36,37)6-2/h9-11,14-17,21-22,26,29-30,34H,5-8,12-13,18-20H2,1-4H3,(H,32,35)/t22-,26-,29-,30-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362884
PNG
(US9845308, Example 11c)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(CC4CC[C@](O)(CC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1/C28H36F3N3O4S/c1-4-39(37,38)23-7-6-22(32-15-23)14-33-26(35)20-5-8-24-21(13-20)17-34(25(24)18(2)3)16-19-9-11-27(36,12-10-19)28(29,30)31/h5-8,13,15,18-19,25,36H,4,9-12,14,16-17H2,1-3H3,(H,33,35)/t19?,25-,27-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362889
PNG
(US9845308, Example 12d)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(CC4CC[C@](O)(CC4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1/C29H37F3N2O4S/c1-4-39(37,38)24-8-5-20(6-9-24)16-33-27(35)22-7-10-25-23(15-22)18-34(26(25)19(2)3)17-21-11-13-28(36,14-12-21)29(30,31)32/h5-10,15,19,21,26,36H,4,11-14,16-18H2,1-3H3,(H,33,35)/t21?,26-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362908
PNG
(US9845308, Example 21b)
Show SMILES CC[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCc1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1/C27H34F3N3O3S/c1-3-25-24-12-7-19(26(34)32-14-22-10-11-23(15-31-22)37(35,36)4-2)13-20(24)17-33(25)16-18-5-8-21(9-6-18)27(28,29)30/h7,10-13,15,18,21,25H,3-6,8-9,14,16-17H2,1-2H3,(H,32,34)/t18-,21-,25-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362916
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isopropyl-3-oxo-2-(4...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3C(C(C)C)N(Cc4ccc(cc4)C(F)(F)F)C(=O)c3c2)cc1
Show InChI InChI=1/C29H29F3N2O4S/c1-4-39(37,38)23-12-7-19(8-13-23)16-33-27(35)21-9-14-24-25(15-21)28(36)34(26(24)18(2)3)17-20-5-10-22(11-6-20)29(30,31)32/h5-15,18,26H,4,16-17H2,1-3H3,(H,33,35)
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362918
PNG
(US9845308, Example 27)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3C(C(C)C)N(Cc4ccc(cc4)C(F)(F)F)C(=O)c3c2)nc1
Show InChI InChI=1/C28H28F3N3O4S/c1-4-39(37,38)22-11-10-21(32-15-22)14-33-26(35)19-7-12-23-24(13-19)27(36)34(25(23)17(2)3)16-18-5-8-20(9-6-18)28(29,30)31/h5-13,15,17,25H,4,14,16H2,1-3H3,(H,33,35)
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362919
PNG
(US9845308, Example 28)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2C(C(C)C)N(Cc3ccc(cc3)C(F)(F)F)C(=O)c2c1
Show InChI InChI=1/C30H31F3N2O5S/c1-4-41(39,40)23-12-7-20(8-13-23)26(17-36)34-28(37)21-9-14-24-25(15-21)29(38)35(27(24)18(2)3)16-19-5-10-22(11-6-19)30(31,32)33/h5-15,18,26-27,36H,4,16-17H2,1-3H3,(H,34,37)/t26-,27?/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362858
PNG
(US9845308, Example 2a)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1/C29H38F3N3O4S/c1-4-40(38,39)23-10-12-25(33-14-23)26(17-36)34-28(37)20-7-11-24-21(13-20)16-35(27(24)18(2)3)15-19-5-8-22(9-6-19)29(30,31)32/h7,10-14,18-19,22,26-27,36H,4-6,8-9,15-17H2,1-3H3,(H,34,37)/t19-,22-,26-,27-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362863
PNG
(US9845308, Example 3b)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2[C@@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1/C30H39F3N2O4S/c1-4-40(38,39)25-12-7-21(8-13-25)27(18-36)34-29(37)22-9-14-26-23(15-22)17-35(28(26)19(2)3)16-20-5-10-24(11-6-20)30(31,32)33/h7-9,12-15,19-20,24,27-28,36H,4-6,10-11,16-18H2,1-3H3,(H,34,37)/t20-,24-,27-,28+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362874
PNG
(2-((trans-4-ethoxycyclohexyl)methyl)-N-((5-(ethyls...)
Show SMILES CCO[C@H]1CC[C@H](CN2Cc3cc(ccc3[C@@H]2C(C)C)C(=O)NCc2ccc(cn2)S(=O)(=O)CC)CC1
Show InChI InChI=1/C29H41N3O4S/c1-5-36-25-11-7-21(8-12-25)18-32-19-23-15-22(9-14-27(23)28(32)20(3)4)29(33)31-16-24-10-13-26(17-30-24)37(34,35)6-2/h9-10,13-15,17,20-21,25,28H,5-8,11-12,16,18-19H2,1-4H3,(H,31,33)/t21-,25-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362891
PNG
(US9845308, Example 13b)
Show SMILES CCS(=O)(=O)N1CCC(CNC(=O)c2ccc3[C@@H](C(C)C)N(CC4CC[C@@](CC4)(OC)C(F)(F)F)Cc3c2)CC1
Show InChI InChI=1/C29H44F3N3O4S/c1-5-40(37,38)35-14-10-21(11-15-35)17-33-27(36)23-6-7-25-24(16-23)19-34(26(25)20(2)3)18-22-8-12-28(39-4,13-9-22)29(30,31)32/h6-7,16,20-22,26H,5,8-15,17-19H2,1-4H3,(H,33,36)/t22?,26-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362903
PNG
(US9845308, Example 19a)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1/C29H37F3N2O4S/c1-3-27-25-14-9-21(15-22(25)17-34(27)16-19-5-10-23(11-6-19)29(30,31)32)28(36)33-26(18-35)20-7-12-24(13-8-20)39(37,38)4-2/h7-9,12-15,19,23,26-27,35H,3-6,10-11,16-18H2,1-2H3,(H,33,36)/t19-,23-,26-,27-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362911
PNG
(US9845308, Example 23b)
Show SMILES CC[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCc1ccc(cn1)S(=O)(=O)NC
Show InChI InChI=1/C26H33F3N4O3S/c1-3-24-23-11-6-18(25(34)32-13-21-9-10-22(14-31-21)37(35,36)30-2)12-19(23)16-33(24)15-17-4-7-20(8-5-17)26(27,28)29/h6,9-12,14,17,20,24,30H,3-5,7-8,13,15-16H2,1-2H3,(H,32,34)/t17-,20-,24-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362920
PNG
((S)-N-(4-(ethylsulfonyl)benzyl)-1-isopropyl-3-oxo-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)C(=O)c3c2)cc1
Show InChI InChI=1/C29H35F3N2O4S/c1-4-39(37,38)23-12-7-19(8-13-23)16-33-27(35)21-9-14-24-25(15-21)28(36)34(26(24)18(2)3)17-20-5-10-22(11-6-20)29(30,31)32/h7-9,12-15,18,20,22,26H,4-6,10-11,16-17H2,1-3H3,(H,33,35)/t20-,22-,26-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362859
PNG
(US9845308, Example 2b)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2[C@@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1/C29H38F3N3O4S/c1-4-40(38,39)23-10-12-25(33-14-23)26(17-36)34-28(37)20-7-11-24-21(13-20)16-35(27(24)18(2)3)15-19-5-8-22(9-6-19)29(30,31)32/h7,10-14,18-19,22,26-27,36H,4-6,8-9,15-17H2,1-3H3,(H,34,37)/t19-,22-,26-,27+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362890
PNG
(US9845308, Example 13a)
Show SMILES CCS(=O)(=O)N1CCC(CNC(=O)c2ccc3[C@H](C(C)C)N(CC4CC[C@@](CC4)(OC)C(F)(F)F)Cc3c2)CC1
Show InChI InChI=1/C29H44F3N3O4S/c1-5-40(37,38)35-14-10-21(11-15-35)17-33-27(36)23-6-7-25-24(16-23)19-34(26(25)20(2)3)18-22-8-12-28(39-4,13-9-22)29(30,31)32/h6-7,16,20-22,26H,5,8-15,17-19H2,1-4H3,(H,33,36)/t22?,26-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362898
PNG
(US9845308, Example 15d)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(C[C@@H]4CCc5nc(C)oc5C4)Cc3c2)nc1
Show InChI InChI=1/C29H36N4O4S/c1-5-38(35,36)24-9-8-23(30-15-24)14-31-29(34)21-7-10-25-22(13-21)17-33(28(25)18(2)3)16-20-6-11-26-27(12-20)37-19(4)32-26/h7-10,13,15,18,20,28H,5-6,11-12,14,16-17H2,1-4H3,(H,31,34)/t20-,28+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362916
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isopropyl-3-oxo-2-(4...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3C(C(C)C)N(Cc4ccc(cc4)C(F)(F)F)C(=O)c3c2)cc1
Show InChI InChI=1/C29H29F3N2O4S/c1-4-39(37,38)23-12-7-19(8-13-23)16-33-27(35)21-9-14-24-25(15-21)28(36)34(26(24)18(2)3)17-20-5-10-22(11-6-20)29(30,31)32/h5-15,18,26H,4,16-17H2,1-3H3,(H,33,35)
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362923
PNG
((S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-is...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(C[C@H]4CO[C@H](OC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1/C26H32F3N3O5S/c1-4-38(34,35)21-7-6-20(30-11-21)10-31-24(33)18-5-8-22-19(9-18)13-32(23(22)16(2)3)12-17-14-36-25(37-15-17)26(27,28)29/h5-9,11,16-17,23,25H,4,10,12-15H2,1-3H3,(H,31,33)/t17-,23-,25+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362923
PNG
((S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-is...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(C[C@H]4CO[C@H](OC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1/C26H32F3N3O5S/c1-4-38(34,35)21-7-6-20(30-11-21)10-31-24(33)18-5-8-22-19(9-18)13-32(23(22)16(2)3)12-17-14-36-25(37-15-17)26(27,28)29/h5-9,11,16-17,23,25H,4,10,12-15H2,1-3H3,(H,31,33)/t17-,23-,25+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362868
PNG
(US9845308, Example 4a | US9845308, Example 5a)
Show SMILES CC(C)[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1/C27H40F3N3O3S/c1-18(2)25-24-9-6-21(26(34)31-15-19-10-12-33(13-11-19)37(3,35)36)14-22(24)17-32(25)16-20-4-7-23(8-5-20)27(28,29)30/h6,9,14,18-20,23,25H,4-5,7-8,10-13,15-17H2,1-3H3,(H,31,34)/t20-,23-,25-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362892
PNG
(US9845308, Example 13c)
Show SMILES CCS(=O)(=O)N1CCC(CNC(=O)c2ccc3[C@@H](C(C)C)N(CC4CC[C@@](CC4)(OC)C(F)(F)F)Cc3c2)CC1
Show InChI InChI=1/C29H44F3N3O4S/c1-5-40(37,38)35-14-10-21(11-15-35)17-33-27(36)23-6-7-25-24(16-23)19-34(26(25)20(2)3)18-22-8-12-28(39-4,13-9-22)29(30,31)32/h6-7,16,20-22,26H,5,8-15,17-19H2,1-4H3,(H,33,36)/t22?,26-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362907
PNG
(US9845308, Example 21a)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCc1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1/C27H34F3N3O3S/c1-3-25-24-12-7-19(26(34)32-14-22-10-11-23(15-31-22)37(35,36)4-2)13-20(24)17-33(25)16-18-5-8-21(9-6-18)27(28,29)30/h7,10-13,15,18,21,25H,3-6,8-9,14,16-17H2,1-2H3,(H,32,34)/t18-,21-,25-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362910
PNG
(US9845308, Example 23a)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCc1ccc(cn1)S(=O)(=O)NC
Show InChI InChI=1/C26H33F3N4O3S/c1-3-24-23-11-6-18(25(34)32-13-21-9-10-22(14-31-21)37(35,36)30-2)12-19(23)16-33(24)15-17-4-7-20(8-5-17)26(27,28)29/h6,9-12,14,17,20,24,30H,3-5,7-8,13,15-16H2,1-2H3,(H,32,34)/t17-,20-,24-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362867
PNG
(US9845308, Example 3d)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1ccc2[C@@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1/C30H39F3N2O4S/c1-4-40(38,39)25-12-7-21(8-13-25)27(18-36)34-29(37)22-9-14-26-23(15-22)17-35(28(26)19(2)3)16-20-5-10-24(11-6-20)30(31,32)33/h7-9,12-15,19-20,24,27-28,36H,4-6,10-11,16-18H2,1-3H3,(H,34,37)/t20-,24-,27-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362868
PNG
(US9845308, Example 4a | US9845308, Example 5a)
Show SMILES CC(C)[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1/C27H40F3N3O3S/c1-18(2)25-24-9-6-21(26(34)31-15-19-10-12-33(13-11-19)37(3,35)36)14-22(24)17-32(25)16-20-4-7-23(8-5-20)27(28,29)30/h6,9,14,18-20,23,25H,4-5,7-8,10-13,15-17H2,1-3H3,(H,31,34)/t20-,23-,25-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362877
PNG
((S)-2-((-4-ethoxycyclohexyl)methyl)-N-((R)-1-(4-(e...)
Show SMILES CCO[C@H]1CC[C@H](CN2Cc3cc(ccc3[C@H]2C(C)C)C(=O)N[C@@H](CO)c2ccc(cc2)S(=O)(=O)CC)CC1
Show InChI InChI=1/C31H44N2O5S/c1-5-38-26-12-7-22(8-13-26)18-33-19-25-17-24(11-16-28(25)30(33)21(3)4)31(35)32-29(20-34)23-9-14-27(15-10-23)39(36,37)6-2/h9-11,14-17,21-22,26,29-30,34H,5-8,12-13,18-20H2,1-4H3,(H,32,35)/t22-,26-,29-,30+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362887
PNG
(US9845308, Example 12b)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(CC4CC[C@](O)(CC4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1/C29H37F3N2O4S/c1-4-39(37,38)24-8-5-20(6-9-24)16-33-27(35)22-7-10-25-23(15-22)18-34(26(25)19(2)3)17-21-11-13-28(36,14-12-21)29(30,31)32/h5-10,15,19,21,26,36H,4,11-14,16-18H2,1-3H3,(H,33,35)/t21?,26-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362888
PNG
(US9845308, Example 12c)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@@H](C(C)C)N(CC4CC[C@](O)(CC4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1/C29H37F3N2O4S/c1-4-39(37,38)24-8-5-20(6-9-24)16-33-27(35)22-7-10-25-23(15-22)18-34(26(25)19(2)3)17-21-11-13-28(36,14-12-21)29(30,31)32/h5-10,15,19,21,26,36H,4,11-14,16-18H2,1-3H3,(H,33,35)/t21?,26-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362894
PNG
((S)-1-isopropyl-2-((4-methoxy-4-(trifluoromethyl)c...)
Show SMILES COC1(CCC(CN2Cc3cc(ccc3[C@H]2C(C)C)C(=O)NCC2CCN(CC2)S(C)(=O)=O)CC1)C(F)(F)F
Show InChI InChI=1/C28H42F3N3O4S/c1-19(2)25-24-6-5-22(26(35)32-16-20-9-13-34(14-10-20)39(4,36)37)15-23(24)18-33(25)17-21-7-11-27(38-3,12-8-21)28(29,30)31/h5-6,15,19-21,25H,7-14,16-18H2,1-4H3,(H,32,35)/t21?,25-,27?/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362897
PNG
(US9845308, Example 15c)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@@H](C(C)C)N(C[C@@H]4CCc5nc(C)oc5C4)Cc3c2)nc1
Show InChI InChI=1/C29H36N4O4S/c1-5-38(35,36)24-9-8-23(30-15-24)14-31-29(34)21-7-10-25-22(13-21)17-33(28(25)18(2)3)16-20-6-11-26-27(12-20)37-19(4)32-26/h7-10,13,15,18,20,28H,5-6,11-12,14,16-17H2,1-4H3,(H,31,34)/t20-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362901
PNG
(US9845308, Example 17)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1/C28H36F3N3O4S/c1-3-26-23-11-7-19(13-20(23)16-34(26)15-18-5-8-21(9-6-18)28(29,30)31)27(36)33-25(17-35)24-12-10-22(14-32-24)39(37,38)4-2/h7,10-14,18,21,25-26,35H,3-6,8-9,15-17H2,1-2H3,(H,33,36)/t18-,21-,25-,26-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362904
PNG
(US9845308, Example 19b)
Show SMILES CC[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1/C29H37F3N2O4S/c1-3-27-25-14-9-21(15-22(25)17-34(27)16-19-5-10-23(11-6-19)29(30,31)32)28(36)33-26(18-35)20-7-12-24(13-8-20)39(37,38)4-2/h7-9,12-15,19,23,26-27,35H,3-6,10-11,16-18H2,1-2H3,(H,33,36)/t19-,23-,26-,27+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362913
PNG
(US9845308, Example 24b)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)N[C@@H](COC(N)=O)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1/C30H38F3N3O5S/c1-3-27-25-14-9-21(15-22(25)17-36(27)16-19-5-10-23(11-6-19)30(31,32)33)28(37)35-26(18-41-29(34)38)20-7-12-24(13-8-20)42(39,40)4-2/h7-9,12-15,19,23,26-27H,3-6,10-11,16-18H2,1-2H3,(H2,34,38)(H,35,37)/t19-,23-,26-,27-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362866
PNG
(US9845308, Example 3c)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1ccc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1/C30H39F3N2O4S/c1-4-40(38,39)25-12-7-21(8-13-25)27(18-36)34-29(37)22-9-14-26-23(15-22)17-35(28(26)19(2)3)16-20-5-10-24(11-6-20)30(31,32)33/h7-9,12-15,19-20,24,27-28,36H,4-6,10-11,16-18H2,1-3H3,(H,34,37)/t20-,24-,27-,28+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362873
PNG
(US9845308, Example 6b)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CCO)NC(=O)c1ccc2[C@@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1/C31H41F3N2O4S/c1-4-41(39,40)26-12-7-22(8-13-26)28(15-16-37)35-30(38)23-9-14-27-24(17-23)19-36(29(27)20(2)3)18-21-5-10-25(11-6-21)31(32,33)34/h7-9,12-14,17,20-21,25,28-29,37H,4-6,10-11,15-16,18-19H2,1-3H3,(H,35,38)/t21-,25-,28-,29+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362882
PNG
(US9845308, Example 11a)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(CC4CC[C@](O)(CC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1/C28H36F3N3O4S/c1-4-39(37,38)23-7-6-22(32-15-23)14-33-26(35)20-5-8-24-21(13-20)17-34(25(24)18(2)3)16-19-9-11-27(36,12-10-19)28(29,30)31/h5-8,13,15,18-19,25,36H,4,9-12,14,16-17H2,1-3H3,(H,33,35)/t19?,25-,27-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362886
PNG
(US9845308, Example 12a)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@@H](C(C)C)N(CC4CC[C@](O)(CC4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1/C29H37F3N2O4S/c1-4-39(37,38)24-8-5-20(6-9-24)16-33-27(35)22-7-10-25-23(15-22)18-34(26(25)19(2)3)17-21-11-13-28(36,14-12-21)29(30,31)32/h5-10,15,19,21,26,36H,4,11-14,16-18H2,1-3H3,(H,33,35)/t21?,26-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362879
PNG
(2-((trans-4-ethoxycyclohexyl)methyl)-N-((S)-1-(4-(...)
Show SMILES CCO[C@H]1CC[C@H](CN2Cc3cc(ccc3[C@@H]2C(C)C)C(=O)N[C@@H](CCO)c2ccc(cc2)S(=O)(=O)CC)CC1
Show InChI InChI=1/C32H46N2O5S/c1-5-39-27-12-7-23(8-13-27)20-34-21-26-19-25(11-16-29(26)31(34)22(3)4)32(36)33-30(17-18-35)24-9-14-28(15-10-24)40(37,38)6-2/h9-11,14-16,19,22-23,27,30-31,35H,5-8,12-13,17-18,20-21H2,1-4H3,(H,33,36)/t23-,27-,30-,31-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362857
PNG
(N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-isopro...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1/C28H36F3N3O3S/c1-4-38(36,37)24-11-10-23(32-15-24)14-33-27(35)20-7-12-25-21(13-20)17-34(26(25)18(2)3)16-19-5-8-22(9-6-19)28(29,30)31/h7,10-13,15,18-19,22,26H,4-6,8-9,14,16-17H2,1-3H3,(H,33,35)/t19-,22-,26-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362861
PNG
(US9845308, Example 2d)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](CO)NC(=O)c1ccc2[C@@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1
Show InChI InChI=1/C29H38F3N3O4S/c1-4-40(38,39)23-10-12-25(33-14-23)26(17-36)34-28(37)20-7-11-24-21(13-20)16-35(27(24)18(2)3)15-19-5-8-22(9-6-19)29(30,31)32/h7,10-14,18-19,22,26-27,36H,4-6,8-9,15-17H2,1-3H3,(H,34,37)/t19-,22-,26-,27-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362869
PNG
(US9845308, Example 4b)
Show SMILES CC(C)[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1/C27H40F3N3O3S/c1-18(2)25-24-9-6-21(26(34)31-15-19-10-12-33(13-11-19)37(3,35)36)14-22(24)17-32(25)16-20-4-7-23(8-5-20)27(28,29)30/h6,9,14,18-20,23,25H,4-5,7-8,10-13,15-17H2,1-3H3,(H,31,34)/t20-,23-,25-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362878
PNG
((R)-2-((trans-4-ethoxycyclohexyl)methyl)-N-((R)-1-...)
Show SMILES CCO[C@H]1CC[C@H](CN2Cc3cc(ccc3[C@H]2C(C)C)C(=O)N[C@@H](CO)c2ccc(cc2)S(=O)(=O)CC)CC1
Show InChI InChI=1/C31H44N2O5S/c1-5-38-26-12-7-22(8-13-26)18-33-19-25-17-24(11-16-28(25)30(33)21(3)4)31(35)32-29(20-34)23-9-14-27(15-10-23)39(36,37)6-2/h9-11,14-17,21-22,26,29-30,34H,5-8,12-13,18-20H2,1-4H3,(H,32,35)/t22-,26-,29-,30+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362895
PNG
(US9845308, Example 15a)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@@H](C(C)C)N(C[C@H]4CCc5nc(C)oc5C4)Cc3c2)nc1
Show InChI InChI=1/C29H36N4O4S/c1-5-38(35,36)24-9-8-23(30-15-24)14-31-29(34)21-7-10-25-22(13-21)17-33(28(25)18(2)3)16-20-6-11-26-27(12-20)37-19(4)32-26/h7-10,13,15,18,20,28H,5-6,11-12,14,16-17H2,1-4H3,(H,31,34)/t20-,28+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362893
PNG
((S)-1-isopropyl-2-((4-methoxy-4-(trifluoromethyl)c...)
Show SMILES COC1(CCC(CN2Cc3cc(ccc3[C@@H]2C(C)C)C(=O)NCC2CCN(CC2)S(C)(=O)=O)CC1)C(F)(F)F
Show InChI InChI=1/C28H42F3N3O4S/c1-19(2)25-24-6-5-22(26(35)32-16-20-9-13-34(14-10-20)39(4,36)37)15-23(24)18-33(25)17-21-7-11-27(38-3,12-8-21)28(29,30)31/h5-6,15,19-21,25H,7-14,16-18H2,1-4H3,(H,32,35)/t21?,25-,27?/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362906
PNG
(US9845308, Example 20b)
Show SMILES CC[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)N[C@@H](CCO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1/C29H38F3N3O4S/c1-3-27-24-11-7-20(15-21(24)18-35(27)17-19-5-8-22(9-6-19)29(30,31)32)28(37)34-26(13-14-36)25-12-10-23(16-33-25)40(38,39)4-2/h7,10-12,15-16,19,22,26-27,36H,3-6,8-9,13-14,17-18H2,1-2H3,(H,34,37)/t19-,22-,26-,27+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362914
PNG
(1-ethyl-N-((S)-1-(4-(ethylsulfonyl)phenyl)-3-hydro...)
Show SMILES CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)N[C@@H](CC(=O)OC)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1/C31H39F3N2O5S/c1-4-28-26-15-10-22(16-23(26)19-36(28)18-20-6-11-24(12-7-20)31(32,33)34)30(38)35-27(17-29(37)41-3)21-8-13-25(14-9-21)42(39,40)5-2/h8-10,13-16,20,24,27-28H,4-7,11-12,17-19H2,1-3H3,(H,35,38)/t20-,24-,27-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362881
PNG
(2-((trans-4-ethoxycyclohexyl)methyl)-N-((S)-1-(4-(...)
Show SMILES CCO[C@H]1CC[C@H](CN2Cc3cc(ccc3[C@H]2C(C)C)C(=O)N[C@@H](CCO)c2ccc(cc2)S(=O)(=O)CC)CC1
Show InChI InChI=1/C32H46N2O5S/c1-5-39-27-12-7-23(8-13-27)20-34-21-26-19-25(11-16-29(26)31(34)22(3)4)32(36)33-30(17-18-35)24-9-14-28(15-10-24)40(37,38)6-2/h9-11,14-16,19,22-23,27,30-31,35H,5-8,12-13,17-18,20-21H2,1-4H3,(H,33,36)/t23-,27-,30-,31+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362896
PNG
(US9845308, Example 15b)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(C[C@H]4CCc5nc(C)oc5C4)Cc3c2)nc1
Show InChI InChI=1/C29H36N4O4S/c1-5-38(35,36)24-9-8-23(30-15-24)14-31-29(34)21-7-10-25-22(13-21)17-33(28(25)18(2)3)16-20-6-11-26-27(12-20)37-19(4)32-26/h7-10,13,15,18,20,28H,5-6,11-12,14,16-17H2,1-4H3,(H,31,34)/t20-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362921
PNG
(N-(4-(ethylsulfonyl)benzyl)-1,1-dimethyl-3-oxo-2-(...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(CC2CCC(CC2)C(F)(F)F)C3(C)C)cc1
Show InChI InChI=1S/C28H33F3N2O4S/c1-4-38(36,37)22-12-7-18(8-13-22)16-32-25(34)20-9-14-24-23(15-20)26(35)33(27(24,2)3)17-19-5-10-21(11-6-19)28(29,30)31/h7-9,12-15,19,21H,4-6,10-11,16-17H2,1-3H3,(H,32,34)
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362871
PNG
(US9845308, Example 5b)
Show SMILES CCS(=O)(=O)N1CCC(CNC(=O)c2ccc3[C@@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)CC1
Show InChI InChI=1/C28H42F3N3O3S/c1-4-38(36,37)34-13-11-20(12-14-34)16-32-27(35)22-7-10-25-23(15-22)18-33(26(25)19(2)3)17-21-5-8-24(9-6-21)28(29,30)31/h7,10,15,19-21,24,26H,4-6,8-9,11-14,16-18H2,1-3H3,(H,32,35)/t21-,24-,26-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362883
PNG
(US9845308, Example 11b)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@@H](C(C)C)N(CC4CC[C@](O)(CC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1/C28H36F3N3O4S/c1-4-39(37,38)23-7-6-22(32-15-23)14-33-26(35)20-5-8-24-21(13-20)17-34(25(24)18(2)3)16-19-9-11-27(36,12-10-19)28(29,30)31/h5-8,13,15,18-19,25,36H,4,9-12,14,16-17H2,1-3H3,(H,33,35)/t19?,25-,27-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362902
PNG
(US9845308, Example 18)
Show SMILES CC[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1/C28H36F3N3O4S/c1-3-26-23-11-7-19(13-20(23)16-34(26)15-18-5-8-21(9-6-18)28(29,30)31)27(36)33-25(17-35)24-12-10-22(14-32-24)39(37,38)4-2/h7,10-14,18,21,25-26,35H,3-6,8-9,15-17H2,1-2H3,(H,33,36)/t18-,21-,25-,26+/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362885
PNG
(US9845308, Example 11d)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@@H](C(C)C)N(CC4CC[C@](O)(CC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1/C28H36F3N3O4S/c1-4-39(37,38)23-7-6-22(32-15-23)14-33-26(35)20-5-8-24-21(13-20)17-34(25(24)18(2)3)16-19-9-11-27(36,12-10-19)28(29,30)31/h5-8,13,15,18-19,25,36H,4,9-12,14,16-17H2,1-3H3,(H,33,35)/t19?,25-,27-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362875
PNG
(2-((trans-4-ethoxycyclohexyl)methyl)-N-((5-(ethyls...)
Show SMILES CCO[C@H]1CC[C@H](CN2Cc3cc(ccc3[C@H]2C(C)C)C(=O)NCc2ccc(cn2)S(=O)(=O)CC)CC1
Show InChI InChI=1/C29H41N3O4S/c1-5-36-25-11-7-21(8-12-25)18-32-19-23-15-22(9-14-27(23)28(32)20(3)4)29(33)31-16-24-10-13-26(17-30-24)37(34,35)6-2/h9-10,13-15,17,20-21,25,28H,5-8,11-12,16,18-19H2,1-4H3,(H,31,33)/t21-,25-,28-/s2
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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


(Homo sapiens (Human))
BDBM362922
PNG
(1-ethyl-N-(4-(ethylsulfonyl)benzyl)-1-methyl-3-oxo...)
Show SMILES CCC1(C)N(CC2CCC(CC2)C(F)(F)F)C(=O)c2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1/C29H35F3N2O4S/c1-4-28(3)25-15-10-21(26(35)33-17-19-8-13-23(14-9-19)39(37,38)5-2)16-24(25)27(36)34(28)18-20-6-11-22(12-7-20)29(30,31)32/h8-10,13-16,20,22H,4-7,11-12,17-18H2,1-3H3,(H,33,35)
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Vitae Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds of the present invention were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-li...


US Patent US9845308 (2017)

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