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Patent code US9624217

Compile Data Set for Download or QSAR
Found 159 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))
BDBM317989
PNG
(US9624217, Compound 142)
Show SMILES CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c(C)c1
Show InChI InChI=1S/C28H31F3N4O3S/c1-5-39(37,38)23-10-18(4)24(32-13-23)14-34-27(36)20-11-21-16-35(26(17(2)3)25(21)33-12-20)15-19-6-8-22(9-7-19)28(29,30)31/h6-13,17,26H,5,14-16H2,1-4H3,(H,34,36)/t26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317914
PNG
(US9624217, Compound 67)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C27H29F3N4O3S/c1-17(2)25-24-21(16-34(25)15-19-4-8-22(9-5-19)27(28,29)30)12-20(14-32-24)26(35)33-13-18-6-10-23(11-7-18)38(36,37)31-3/h4-12,14,17,25,31H,13,15-16H2,1-3H3,(H,33,35)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317848
PNG
((S)—N-(4-(ethylsulfonyl)benzyl)-7-isopropyl-6...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C28H30F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)14-33-27(35)21-13-22-17-34(26(18(2)3)25(22)32-15-21)16-20-5-9-23(10-6-20)28(29,30)31/h5-13,15,18,26H,4,14,16-17H2,1-3H3,(H,33,35)/t26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317864
PNG
(US9624217, Compound 17)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H28ClN3O3S/c1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317880
PNG
(US9624217, Compound 33)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1S/C27H29F3N4O3S/c1-4-38(36,37)23-10-9-22(31-14-23)13-33-26(35)19-11-20-16-34(25(17(2)3)24(20)32-12-19)15-18-5-7-21(8-6-18)27(28,29)30/h5-12,14,17,25H,4,13,15-16H2,1-3H3,(H,33,35)/t25-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317889
PNG
(US9624217, Compound 42)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCC(F)(F)CC4)Cc3c2)cc1
Show InChI InChI=1S/C27H35F2N3O3S/c1-4-36(34,35)23-7-5-19(6-8-23)14-31-26(33)21-13-22-17-32(25(18(2)3)24(22)30-15-21)16-20-9-11-27(28,29)12-10-20/h5-8,13,15,18,20,25H,4,9-12,14,16-17H2,1-3H3,(H,31,33)/t25-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317890
PNG
(US9624217, Compound 43)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCC(F)(F)CC4)Cc3c2)nc1
Show InChI InChI=1S/C26H34F2N4O3S/c1-4-36(34,35)22-6-5-21(29-14-22)13-31-25(33)19-11-20-16-32(24(17(2)3)23(20)30-12-19)15-18-7-9-26(27,28)10-8-18/h5-6,11-12,14,17-18,24H,4,7-10,13,15-16H2,1-3H3,(H,31,33)/t24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317894
PNG
(US9624217, Compound 47)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)C(=O)c3c2)nc1
Show InChI InChI=1S/C27H33F3N4O4S/c1-4-39(37,38)21-10-9-20(31-14-21)13-33-25(35)18-11-22-23(32-12-18)24(16(2)3)34(26(22)36)15-17-5-7-19(8-6-17)27(28,29)30/h9-12,14,16-17,19,24H,4-8,13,15H2,1-3H3,(H,33,35)/t17-,19-,24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317905
PNG
(US9624217, Compound 58)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C28H30F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)13-25(35)33-23-14-21-17-34(27(18(2)3)26(21)32-15-23)16-20-5-9-22(10-6-20)28(29,30)31/h5-12,14-15,18,27H,4,13,16-17H2,1-3H3,(H,33,35)/t27-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317911
PNG
(US9624217, Compound 64)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C27H25F3N4O/c1-17(2)25-24-22(16-34(25)15-20-7-9-23(10-8-20)27(28,29)30)11-21(14-32-24)26(35)33-13-19-5-3-18(12-31)4-6-19/h3-11,14,17,25H,13,15-16H2,1-2H3,(H,33,35)/t25-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317991
PNG
(US9624217, Compound 144)
Show SMILES CCS(=O)(=O)c1cnc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)c(F)c1
Show InChI InChI=1S/C27H28F4N4O3S/c1-4-39(37,38)21-10-22(28)23(32-12-21)13-34-26(36)18-9-19-15-35(25(16(2)3)24(19)33-11-18)14-17-5-7-20(8-6-17)27(29,30)31/h5-12,16,25H,4,13-15H2,1-3H3,(H,34,36)/t25-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317851
PNG
(US9624217, Compound 4)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)cc1
Show InChI InChI=1S/C28H30N4O3S/c1-4-36(34,35)25-11-9-21(10-12-25)15-31-28(33)23-13-24-18-32(27(19(2)3)26(24)30-16-23)17-22-7-5-20(14-29)6-8-22/h5-13,16,19,27H,4,15,17-18H2,1-3H3,(H,31,33)/t27-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317875
PNG
(US9624217, Compound 28)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)[C@H](C)c3c2)cc1
Show InChI InChI=1S/C28H32ClN3O3S/c1-5-36(34,35)24-12-8-20(9-13-24)15-31-28(33)22-14-25-19(4)32(17-21-6-10-23(29)11-7-21)27(18(2)3)26(25)30-16-22/h6-14,16,18-19,27H,5,15,17H2,1-4H3,(H,31,33)/t19-,27+/m1/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317910
PNG
(US9624217, Compound 63)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H33F3N4O3S/c1-17(2)24-23-21(16-32(24)15-19-4-6-22(7-5-19)26(27,28)29)12-20(14-30-23)25(34)31-13-18-8-10-33(11-9-18)37(3,35)36/h4-7,12,14,17-18,24H,8-11,13,15-16H2,1-3H3,(H,31,34)/t24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317980
PNG
(US9624217, Compound 133)
Show SMILES CCS(=O)(=O)N\C=C(\CNC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1)C=N
Show InChI InChI=1S/C25H30F3N5O3S/c1-4-37(35,36)32-12-18(10-29)11-31-24(34)19-9-20-15-33(23(16(2)3)22(20)30-13-19)14-17-5-7-21(8-6-17)25(26,27)28/h5-10,12-13,16,23,29,32H,4,11,14-15H2,1-3H3,(H,31,34)/b18-12+,29-10?/t23-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317990
PNG
(US9624217, Compound 143)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nc1C
Show InChI InChI=1S/C28H31F3N4O3S/c1-5-39(37,38)24-11-10-23(34-18(24)4)14-33-27(36)20-12-21-16-35(26(17(2)3)25(21)32-13-20)15-19-6-8-22(9-7-19)28(29,30)31/h6-13,17,26H,5,14-16H2,1-4H3,(H,33,36)/t26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM318006
PNG
(US9624217, Compound 159)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nn1
Show InChI InChI=1S/C26H28F3N5O3S/c1-4-38(36,37)22-10-9-21(32-33-22)13-31-25(35)18-11-19-15-34(24(16(2)3)23(19)30-12-18)14-17-5-7-20(8-6-17)26(27,28)29/h5-12,16,24H,4,13-15H2,1-3H3,(H,31,35)/t24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317862
PNG
(US9624217, Compound 15 | tert-butyl (S)-3-((4-(eth...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C25H33N3O5S/c1-7-34(31,32)20-10-8-17(9-11-20)13-27-23(29)18-12-19-15-28(24(30)33-25(4,5)6)22(16(2)3)21(19)26-14-18/h8-12,14,16,22H,7,13,15H2,1-6H3,(H,27,29)/t22-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317879
PNG
(US9624217, Compound 32)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)C(=O)c3c2)cc1
Show InChI InChI=1S/C28H28F3N3O4S/c1-4-39(37,38)22-11-7-18(8-12-22)14-33-26(35)20-13-23-24(32-15-20)25(17(2)3)34(27(23)36)16-19-5-9-21(10-6-19)28(29,30)31/h5-13,15,17,25H,4,14,16H2,1-3H3,(H,33,35)/t25-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317891
PNG
(US9624217, Compound 44)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1
Show InChI InChI=1S/C29H39N3O5S/c1-5-38(35,36)25-12-8-20(9-13-25)15-31-28(33)23-14-24-18-32(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)29(34)37-4/h8-9,12-14,16,19,21-22,27H,5-7,10-11,15,17-18H2,1-4H3,(H,31,33)/t21-,22-,27-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317903
PNG
(US9624217, Compound 56)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)cc1
Show InChI InChI=1S/C27H30ClN3O3S/c1-4-35(33,34)24-11-7-19(8-12-24)13-25(32)30-23-14-21-17-31(16-20-5-9-22(28)10-6-20)27(18(2)3)26(21)29-15-23/h5-12,14-15,18,27H,4,13,16-17H2,1-3H3,(H,30,32)/t27-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317849
PNG
( (S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-i...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C28H36F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)14-33-27(35)21-13-22-17-34(26(18(2)3)25(22)32-15-21)16-20-5-9-23(10-6-20)28(29,30)31/h7-8,11-13,15,18,20,23,26H,4-6,9-10,14,16-17H2,1-3H3,(H,33,35)/t20-,23-,26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317877
PNG
(US9624217, Compound 30)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)[C@H](C)c3c2)cc1
Show InChI InChI=1S/C29H32F3N3O3S/c1-5-39(37,38)24-12-8-20(9-13-24)15-34-28(36)22-14-25-19(4)35(27(18(2)3)26(25)33-16-22)17-21-6-10-23(11-7-21)29(30,31)32/h6-14,16,18-19,27H,5,15,17H2,1-4H3,(H,34,36)/t19-,27+/m1/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317904
PNG
(US9624217, Compound 57)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)cc1
Show InChI InChI=1S/C28H30N4O3S/c1-4-36(34,35)25-11-9-20(10-12-25)13-26(33)31-24-14-23-18-32(28(19(2)3)27(23)30-16-24)17-22-7-5-21(15-29)6-8-22/h5-12,14,16,19,28H,4,13,17-18H2,1-3H3,(H,31,33)/t28-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317871
PNG
(US9624217, Compound 24)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(F)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H28FN3O3S/c1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317881
PNG
(US9624217, Compound 34)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)nc1
Show InChI InChI=1S/C26H29ClN4O3S/c1-4-35(33,34)23-10-9-22(28-14-23)13-30-26(32)19-11-20-16-31(15-18-5-7-21(27)8-6-18)25(17(2)3)24(20)29-12-19/h5-12,14,17,25H,4,13,15-16H2,1-3H3,(H,30,32)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317885
PNG
(US9624217, Compound 38)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3c2)cc1
Show InChI InChI=1S/C29H33N7O3S/c1-5-40(38,39)25-12-8-20(9-13-25)15-31-29(37)23-14-24-18-36(27(19(2)3)26(24)30-16-23)17-21-6-10-22(11-7-21)28-32-34-35(4)33-28/h6-14,16,19,27H,5,15,17-18H2,1-4H3,(H,31,37)/t27-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317893
PNG
(Tert-butyl (S)-3-(((5-(ethylsulfonyl)pyridin-2-yl)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(C)(C)C)nc1
Show InChI InChI=1S/C24H32N4O5S/c1-7-34(31,32)19-9-8-18(25-13-19)12-27-22(29)16-10-17-14-28(23(30)33-24(4,5)6)21(15(2)3)20(17)26-11-16/h8-11,13,15,21H,7,12,14H2,1-6H3,(H,27,29)/t21-/m0/s1
PDB

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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317901
PNG
(US9624217, Compound 54)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc5OC(F)(F)Oc5c4)Cc3c2)nc1
Show InChI InChI=1S/C27H28F2N4O5S/c1-4-39(35,36)21-7-6-20(30-13-21)12-32-26(34)18-10-19-15-33(25(16(2)3)24(19)31-11-18)14-17-5-8-22-23(9-17)38-27(28,29)37-22/h5-11,13,16,25H,4,12,14-15H2,1-3H3,(H,32,34)/t25-/m0/s1
PDB

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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317988
PNG
(US9624217, Compound 141)
Show SMILES CCS(=O)(=O)c1ccc(nc1)C1(CC1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C29H31F3N4O3S/c1-4-40(38,39)23-9-10-24(33-15-23)28(11-12-28)35-27(37)20-13-21-17-36(26(18(2)3)25(21)34-14-20)16-19-5-7-22(8-6-19)29(30,31)32/h5-10,13-15,18,26H,4,11-12,16-17H2,1-3H3,(H,35,37)/t26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317850
PNG
(US9624217, Compound 3)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3c2)cc1
Show InChI InChI=1S/C27H30ClN3O3S/c1-4-35(33,34)24-11-7-19(8-12-24)14-30-27(32)21-13-22-17-31(16-20-5-9-23(28)10-6-20)26(18(2)3)25(22)29-15-21/h5-13,15,18,26H,4,14,16-17H2,1-3H3,(H,30,32)/t26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317854
PNG
(US9624217, Compound 7)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(F)cc4)Cc3c2)cc1
Show InChI InChI=1S/C27H30FN3O3S/c1-4-35(33,34)24-11-7-19(8-12-24)14-30-27(32)21-13-22-17-31(16-20-5-9-23(28)10-6-20)26(18(2)3)25(22)29-15-21/h5-13,15,18,26H,4,14,16-17H2,1-3H3,(H,30,32)/t26-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317856
PNG
((S)-6-(4-chlorobenzyl)-N-(4-(ethylsulfonyl)benzyl)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)C(=O)c3c2)cc1
Show InChI InChI=1S/C27H28ClN3O4S/c1-4-36(34,35)22-11-7-18(8-12-22)14-30-26(32)20-13-23-24(29-15-20)25(17(2)3)31(27(23)33)16-19-5-9-21(28)10-6-19/h5-13,15,17,25H,4,14,16H2,1-3H3,(H,30,32)/t25-/m0/s1
PDB

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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317867
PNG
(US9624217, Compound 20)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C28H36F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)14-33-27(35)21-13-22-17-34(26(18(2)3)25(22)32-15-21)16-20-5-9-23(10-6-20)28(29,30)31/h7-8,11-13,15,18,20,23,26H,4-6,9-10,14,16-17H2,1-3H3,(H,33,35)/t20-,23-,26-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317874
PNG
(US9624217, Compound 27)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cn4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C27H29F3N4O3S/c1-4-38(36,37)23-9-5-18(6-10-23)12-33-26(35)19-11-20-15-34(25(17(2)3)24(20)32-13-19)16-22-8-7-21(14-31-22)27(28,29)30/h5-11,13-14,17,25H,4,12,15-16H2,1-3H3,(H,33,35)/t25-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317882
PNG
(US9624217, Compound 35)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3c2)nc1
Show InChI InChI=1S/C27H29N5O3S/c1-4-36(34,35)24-10-9-23(29-15-24)14-31-27(33)21-11-22-17-32(26(18(2)3)25(22)30-13-21)16-20-7-5-19(12-28)6-8-20/h5-11,13,15,18,26H,4,14,16-17H2,1-3H3,(H,31,33)/t26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317896
PNG
(US9624217, Compound 49)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3c2)cc1
Show InChI InChI=1S/C28H37F3N4O3S/c1-4-39(37,38)24-7-5-20(6-8-24)14-33-27(36)22-13-23-17-35(26(19(2)3)25(23)32-15-22)16-21-9-11-34(12-10-21)18-28(29,30)31/h5-8,13,15,19,21,26H,4,9-12,14,16-18H2,1-3H3,(H,33,36)/t26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317956
PNG
(US9624217, Compound 109)
Show SMILES CCS(=O)(=O)N1CCC(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)CC1
Show InChI InChI=1S/C27H35F3N4O3S/c1-4-38(36,37)34-11-9-19(10-12-34)14-32-26(35)21-13-22-17-33(25(18(2)3)24(22)31-15-21)16-20-5-7-23(8-6-20)27(28,29)30/h5-8,13,15,18-19,25H,4,9-12,14,16-17H2,1-3H3,(H,32,35)/t25-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317855
PNG
(US9624217, Compound 8)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)c2ncc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H26F3N5O3S/c1-4-37(35,36)20-7-5-16(6-8-20)10-30-23(34)17-9-18-14-33(22(15(2)3)21(18)29-11-17)24-31-12-19(13-32-24)25(26,27)28/h5-9,11-13,15,22H,4,10,14H2,1-3H3,(H,30,34)/t22-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317857
PNG
(US9624217, Compound 10)
Show SMILES CCOC(=O)c1cnc(nc1C(F)(F)F)N1Cc2cc(cnc2[C@@H]1C(C)C)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H30F3N5O5S/c1-5-41-26(38)21-14-34-27(35-24(21)28(29,30)31)36-15-19-11-18(13-32-22(19)23(36)16(3)4)25(37)33-12-17-7-9-20(10-8-17)42(39,40)6-2/h7-11,13-14,16,23H,5-6,12,15H2,1-4H3,(H,33,37)/t23-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317878
PNG
(US9624217, Compound 31)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)[C@@H](C)c3c2)cc1
Show InChI InChI=1S/C29H32F3N3O3S/c1-5-39(37,38)24-12-8-20(9-13-24)15-34-28(36)22-14-25-19(4)35(27(18(2)3)26(25)33-16-22)17-21-6-10-23(11-7-21)29(30,31)32/h6-14,16,18-19,27H,5,15,17H2,1-4H3,(H,34,36)/t19-,27-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317902
PNG
(US9624217, Compound 55)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C28H36F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)13-25(35)33-23-14-21-17-34(27(18(2)3)26(21)32-15-23)16-20-5-9-22(10-6-20)28(29,30)31/h7-8,11-12,14-15,18,20,22,27H,4-6,9-10,13,16-17H2,1-3H3,(H,33,35)/t20-,22-,27-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317906
PNG
(US9624217, Compound 59)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](C)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C28H31F3N4O3S/c1-5-39(37,38)23-10-11-24(32-14-23)18(4)34-27(36)20-12-21-16-35(26(17(2)3)25(21)33-13-20)15-19-6-8-22(9-7-19)28(29,30)31/h6-14,17-18,26H,5,15-16H2,1-4H3,(H,34,36)/t18-,26+/m1/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317986
PNG
(US9624217, Compound 139)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@H](CC(O)=O)CC1
Show InChI InChI=1S/C28H34F3N3O3/c1-17(2)26-25-22(16-34(26)15-20-7-9-23(10-8-20)28(29,30)31)12-21(14-32-25)27(37)33-13-19-5-3-18(4-6-19)11-24(35)36/h7-10,12,14,17-19,26H,3-6,11,13,15-16H2,1-2H3,(H,33,37)(H,35,36)/t18-,19-,26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317852
PNG
(US9624217, Compound 5)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(OC(F)F)cc4)Cc3c2)cc1
Show InChI InChI=1S/C28H31F2N3O4S/c1-4-38(35,36)24-11-7-19(8-12-24)14-32-27(34)21-13-22-17-33(26(18(2)3)25(22)31-15-21)16-20-5-9-23(10-6-20)37-28(29)30/h5-13,15,18,26,28H,4,14,16-17H2,1-3H3,(H,32,34)/t26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317853
PNG
(S-N-(4-(ethylsulfonyl)benzyl)-7-isopropyl-6-(4-(tr...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)c2nccc(n2)[B](F)(F)F)cc1
Show InChI InChI=1S/C24H26BF3N5O3S/c1-4-37(35,36)19-7-5-16(6-8-19)12-31-23(34)17-11-18-14-33(22(15(2)3)21(18)30-13-17)24-29-10-9-20(32-24)25(26,27)28/h5-11,13,15,22H,4,12,14H2,1-3H3,(H,31,34)/t22-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317869
PNG
(US9624217, Compound 22)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H28F3N3O3S/c1-17(2)25-24-21(16-33(25)15-19-4-8-22(9-5-19)27(28,29)30)12-20(14-31-24)26(34)32-13-18-6-10-23(11-7-18)37(3,35)36/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,32,34)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317872
PNG
(US9624217, Compound 25)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H30ClN3O5S/c1-4-38(35,36)24-11-7-19(8-12-24)14-31-27(33)21-13-22-16-32(26(18(2)3)25(22)30-15-21)28(34)37-17-20-5-9-23(29)10-6-20/h5-13,15,18,26H,4,14,16-17H2,1-3H3,(H,31,33)/t26-/m0/s1
PDB

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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317876
PNG
(US9624217, Compound 29)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)[C@@H](C)c3c2)cc1
Show InChI InChI=1S/C28H32ClN3O3S/c1-5-36(34,35)24-12-8-20(9-13-24)15-31-28(33)22-14-25-19(4)32(17-21-6-10-23(29)11-7-21)27(18(2)3)26(25)30-16-22/h6-14,16,18-19,27H,5,15,17H2,1-4H3,(H,31,33)/t19-,27-/m0/s1
PDB

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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317886
PNG
(US9624217, Compound 39)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(nc4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C27H29F3N4O3S/c1-4-38(36,37)22-8-5-18(6-9-22)12-33-26(35)20-11-21-16-34(25(17(2)3)24(21)32-14-20)15-19-7-10-23(31-13-19)27(28,29)30/h5-11,13-14,17,25H,4,12,15-16H2,1-3H3,(H,33,35)/t25-/m0/s1
PDB

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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317888
PNG
(US9624217, Compound 41)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@H](CC4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C28H36F3N3O3S/c1-4-38(36,37)24-11-7-19(8-12-24)14-33-27(35)21-13-22-17-34(26(18(2)3)25(22)32-15-21)16-20-5-9-23(10-6-20)28(29,30)31/h7-8,11-13,15,18,20,23,26H,4-6,9-10,14,16-17H2,1-3H3,(H,33,35)/t20-,23+,26-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317892
PNG
(US9624217, Compound 45)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)OC)Cc3c2)cc1
Show InChI InChI=1S/C28H39N3O4S/c1-5-36(33,34)25-12-8-20(9-13-25)15-30-28(32)22-14-23-18-31(27(19(2)3)26(23)29-16-22)17-21-6-10-24(35-4)11-7-21/h8-9,12-14,16,19,21,24,27H,5-7,10-11,15,17-18H2,1-4H3,(H,30,32)/t21-,24-,27-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317996
PNG
(US9624217, Compound 149)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](CO)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H27F3N4O2/c1-17(2)26-25-22(15-35(26)14-19-5-9-23(10-6-19)28(29,30)31)11-21(13-33-25)27(37)34-24(16-36)20-7-3-18(12-32)4-8-20/h3-11,13,17,24,26,36H,14-16H2,1-2H3,(H,34,37)/t24-,26-/m0/s1
PDB

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<100n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317953
PNG
(US9624217, Compound 106)
Show SMILES CCS(=O)(=O)N1CCC(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)C1
Show InChI InChI=1S/C26H33F3N4O3S/c1-4-37(35,36)33-10-9-19(15-33)12-31-25(34)20-11-21-16-32(24(17(2)3)23(21)30-13-20)14-18-5-7-22(8-6-18)26(27,28)29/h5-8,11,13,17,19,24H,4,9-10,12,14-16H2,1-3H3,(H,31,34)/t19?,24-/m0/s1
PDB

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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317937
PNG
(US9624217, Compound 90)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCC1CCOCC1
Show InChI InChI=1S/C26H32F3N3O2/c1-17(2)24-23-21(16-32(24)15-19-3-5-22(6-4-19)26(27,28)29)13-20(14-31-23)25(33)30-10-7-18-8-11-34-12-9-18/h3-6,13-14,17-18,24H,7-12,15-16H2,1-2H3,(H,30,33)/t24-/m0/s1
PDB

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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317858
PNG
(US9624217, Compound 11)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)C(=O)N(Cc2ccc(Cl)cc2)C3(O)C(C)C)cc1
Show InChI InChI=1S/C27H28ClN3O5S/c1-4-37(35,36)22-11-7-18(8-12-22)14-30-25(32)20-13-23-24(29-15-20)27(34,17(2)3)31(26(23)33)16-19-5-9-21(28)10-6-19/h5-13,15,17,34H,4,14,16H2,1-3H3,(H,30,32)
PDB

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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317863
PNG
(US9624217, Compound 16 | benzyl (S)-3-((4-(ethylsu...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C28H31N3O5S/c1-4-37(34,35)24-12-10-20(11-13-24)15-30-27(32)22-14-23-17-31(26(19(2)3)25(23)29-16-22)28(33)36-18-21-8-6-5-7-9-21/h5-14,16,19,26H,4,15,17-18H2,1-3H3,(H,30,32)/t26-/m0/s1
PDB

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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317883
PNG
(US9624217, Compound 36)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cn2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H27F3N4O3S/c1-16(2)24-23-19(14-33(24)15-21-7-6-20(13-30-21)26(27,28)29)10-18(12-31-23)25(34)32-11-17-4-8-22(9-5-17)37(3,35)36/h4-10,12-13,16,24H,11,14-15H2,1-3H3,(H,32,34)/t24-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317899
PNG
(US9624217, Compound 52)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@@H]([C@H]4CCOC4)N(Cc4ccc(cc4)C#N)Cc3c2)cc1
Show InChI InChI=1S/C29H30N4O4S/c1-2-38(35,36)26-9-7-21(8-10-26)15-32-29(34)24-13-25-18-33(17-22-5-3-20(14-30)4-6-22)28(27(25)31-16-24)23-11-12-37-19-23/h3-10,13,16,23,28H,2,11-12,15,17-19H2,1H3,(H,32,34)/t23-,28+/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317936
PNG
(US9624217, Compound 89)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCc1ccc2CCCNc2n1
Show InChI InChI=1S/C29H32F3N5O/c1-18(2)26-25-22(17-37(26)16-19-5-8-23(9-6-19)29(30,31)32)14-21(15-35-25)28(38)34-13-11-24-10-7-20-4-3-12-33-27(20)36-24/h5-10,14-15,18,26H,3-4,11-13,16-17H2,1-2H3,(H,33,36)(H,34,38)/t26-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317951
PNG
(US9624217, Compound 104)
Show SMILES CCS(=O)(=O)N1CC(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)C1
Show InChI InChI=1S/C25H31F3N4O3S/c1-4-36(34,35)32-13-18(14-32)10-30-24(33)19-9-20-15-31(23(16(2)3)22(20)29-11-19)12-17-5-7-21(8-6-17)25(26,27)28/h5-9,11,16,18,23H,4,10,12-15H2,1-3H3,(H,30,33)/t23-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317873
PNG
(US9624217, Compound 26)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4cnc(nc4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C26H28F3N5O3S/c1-4-38(36,37)21-7-5-17(6-8-21)10-31-24(35)19-9-20-15-34(23(16(2)3)22(20)30-13-19)14-18-11-32-25(33-12-18)26(27,28)29/h5-9,11-13,16,23H,4,10,14-15H2,1-3H3,(H,31,35)/t23-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317919
PNG
(US9624217, Compound 72)
Show SMILES COc1cccc(c1)C(C)(C)CNC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C30H34F3N3O2/c1-19(2)27-26-22(17-36(27)16-20-9-11-23(12-10-20)30(31,32)33)13-21(15-34-26)28(37)35-18-29(3,4)24-7-6-8-25(14-24)38-5/h6-15,19,27H,16-18H2,1-5H3,(H,35,37)/t27-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317930
PNG
(US9624217, Compound 83)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccnnc1
Show InChI InChI=1S/C24H24F3N5O/c1-15(2)22-21-19(14-32(22)13-16-3-5-20(6-4-16)24(25,26)27)9-18(12-28-21)23(33)29-10-17-7-8-30-31-11-17/h3-9,11-12,15,22H,10,13-14H2,1-2H3,(H,29,33)/t22-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317949
PNG
(US9624217, Compound 102)
Show SMILES CCS(=O)(=O)N1CC(CCNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)C1
Show InChI InChI=1S/C26H33F3N4O3S/c1-4-37(35,36)33-14-19(15-33)9-10-30-25(34)20-11-21-16-32(24(17(2)3)23(21)31-12-20)13-18-5-7-22(8-6-18)26(27,28)29/h5-8,11-12,17,19,24H,4,9-10,13-16H2,1-3H3,(H,30,34)/t24-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317958
PNG
(US9624217, Compound 111)
Show SMILES CNS(=O)(=O)N1CCC(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)CC1
Show InChI InChI=1S/C26H34F3N5O3S/c1-17(2)24-23-21(16-33(24)15-19-4-6-22(7-5-19)26(27,28)29)12-20(14-31-23)25(35)32-13-18-8-10-34(11-9-18)38(36,37)30-3/h4-7,12,14,17-18,24,30H,8-11,13,15-16H2,1-3H3,(H,32,35)/t24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317962
PNG
(US9624217, Compound 115)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccncc1
Show InChI InChI=1S/C25H25F3N4O/c1-16(2)23-22-20(15-32(23)14-18-3-5-21(6-4-18)25(26,27)28)11-19(13-30-22)24(33)31-12-17-7-9-29-10-8-17/h3-11,13,16,23H,12,14-15H2,1-2H3,(H,31,33)/t23-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317975
PNG
(US9624217, Compound 128)
Show SMILES COC(=O)CC(NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1)c1ccc(Br)cc1
Show InChI InChI=1S/C29H29BrF3N3O3/c1-17(2)27-26-21(16-36(27)15-18-4-8-22(9-5-18)29(31,32)33)12-20(14-34-26)28(38)35-24(13-25(37)39-3)19-6-10-23(30)11-7-19/h4-12,14,17,24,27H,13,15-16H2,1-3H3,(H,35,38)/t24?,27-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317976
PNG
(US9624217, Compound 129)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C27H31F3N4O/c1-17(2)25-24-22(16-34(25)15-20-7-9-23(10-8-20)27(28,29)30)11-21(14-32-24)26(35)33-13-19-5-3-18(12-31)4-6-19/h7-11,14,17-19,25H,3-6,13,15-16H2,1-2H3,(H,33,35)/t18-,19-,25-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317994
PNG
(US9624217, Compound 147)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H26F3N3O3/c1-16(2)24-23-21(15-33(24)14-18-5-9-22(10-6-18)27(28,29)30)11-20(13-31-23)25(34)32-12-17-3-7-19(8-4-17)26(35)36/h3-11,13,16,24H,12,14-15H2,1-2H3,(H,32,34)(H,35,36)/t24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM318005
PNG
(US9624217, Compound 158)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@H](CO)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H27F3N4O2/c1-17(2)26-25-22(15-35(26)14-19-5-9-23(10-6-19)28(29,30)31)11-21(13-33-25)27(37)34-24(16-36)20-7-3-18(12-32)4-8-20/h3-11,13,17,24,26,36H,14-16H2,1-2H3,(H,34,37)/t24-,26+/m1/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317861
PNG
(US9624217, Compound 14)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)c2ncc([C@@H](C)O)c(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H30F3N5O4S/c1-5-40(38,39)20-8-6-17(7-9-20)11-32-25(37)18-10-19-14-35(23(15(2)3)22(19)31-12-18)26-33-13-21(16(4)36)24(34-26)27(28,29)30/h6-10,12-13,15-16,23,36H,5,11,14H2,1-4H3,(H,32,37)/t16-,23+/m1/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317898
PNG
(US9624217, Compound 51)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@@H]([C@@H]4CCOC4)N(Cc4ccc(cc4)C#N)Cc3c2)cc1
Show InChI InChI=1S/C29H30N4O4S/c1-2-38(35,36)26-9-7-21(8-10-26)15-32-29(34)24-13-25-18-33(17-22-5-3-20(14-30)4-6-22)28(27(25)31-16-24)23-11-12-37-19-23/h3-10,13,16,23,28H,2,11-12,15,17-19H2,1H3,(H,32,34)/t23-,28-/m1/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317912
PNG
(Methyl (S)-4-((7-isopropyl-6-(4-(trifluoromethyl)b...)
Show SMILES COC(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C28H28F3N3O3/c1-17(2)25-24-22(16-34(25)15-19-6-10-23(11-7-19)28(29,30)31)12-21(14-32-24)26(35)33-13-18-4-8-20(9-5-18)27(36)37-3/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,33,35)/t25-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317974
PNG
(US9624217, Compound 127)
Show SMILES COC(=O)C[C@H]1CC[C@H](CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)CC1
Show InChI InChI=1S/C29H36F3N3O3/c1-18(2)27-26-23(17-35(27)16-21-8-10-24(11-9-21)29(30,31)32)13-22(15-33-26)28(37)34-14-20-6-4-19(5-7-20)12-25(36)38-3/h8-11,13,15,18-20,27H,4-7,12,14,16-17H2,1-3H3,(H,34,37)/t19-,20-,27-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317998
PNG
(US9624217, Compound 151)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C26H25F3N4O3/c1-15(2)23-22-19(14-33(23)13-16-3-6-20(7-4-16)26(27,28)29)9-18(11-31-22)24(34)32-12-21-8-5-17(10-30-21)25(35)36/h3-11,15,23H,12-14H2,1-2H3,(H,32,34)(H,35,36)/t23-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM318002
PNG
(US9624217, Compound 155)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cn1)C#N
Show InChI InChI=1S/C26H24F3N5O/c1-16(2)24-23-20(15-34(24)14-17-3-6-21(7-4-17)26(27,28)29)9-19(12-32-23)25(35)33-13-22-8-5-18(10-30)11-31-22/h3-9,11-12,16,24H,13-15H2,1-2H3,(H,33,35)/t24-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317918
PNG
(US9624217, Compound 71)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H29ClF3N3O2/c1-17(2)26-25-21(16-35(26)15-18-3-7-22(8-4-18)28(30,31)32)13-20(14-33-25)27(37)34-24(11-12-36)19-5-9-23(29)10-6-19/h3-10,13-14,17,24,26,36H,11-12,15-16H2,1-2H3,(H,34,37)/t24-,26-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317923
PNG
(US9624217, Compound 76)
Show SMILES CN\C=C(\CNC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1)C=N
Show InChI InChI=1S/C24H28F3N5O/c1-15(2)22-21-19(8-18(12-30-21)23(33)31-11-17(9-28)10-29-3)14-32(22)13-16-4-6-20(7-5-16)24(25,26)27/h4-10,12,15,22,28-29H,11,13-14H2,1-3H3,(H,31,33)/b17-10+,28-9?/t22-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317938
PNG
(US9624217, Compound 91)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCCS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H30F3N3O3S/c1-19(2)26-25-22(18-34(26)17-20-9-11-23(12-10-20)28(29,30)31)15-21(16-33-25)27(35)32-13-6-14-38(36,37)24-7-4-3-5-8-24/h3-5,7-12,15-16,19,26H,6,13-14,17-18H2,1-2H3,(H,32,35)/t26-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317942
PNG
(US9624217, Compound 95)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C30H39F3N4O3/c1-19(2)26-25-23(18-37(26)17-21-6-8-24(9-7-21)30(31,32)33)14-22(16-34-25)27(38)35-15-20-10-12-36(13-11-20)28(39)40-29(3,4)5/h6-9,14,16,19-20,26H,10-13,15,17-18H2,1-5H3,(H,35,38)/t26-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317970
PNG
(US9624217, Compound 123)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC(CO)c1ccc(Br)cc1
Show InChI InChI=1S/C27H27BrF3N3O2/c1-16(2)25-24-20(14-34(25)13-17-3-7-21(8-4-17)27(29,30)31)11-19(12-32-24)26(36)33-23(15-35)18-5-9-22(28)10-6-18/h3-12,16,23,25,35H,13-15H2,1-2H3,(H,33,36)/t23?,25-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317972
PNG
(US9624217, Compound 125 | US9624217, Compound 130 ...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C28H28F3N3O2/c1-16(2)26-24-20(15-34(26)14-17-7-9-21(10-8-17)28(29,30)31)11-19(13-32-24)27(36)33-25-22-6-4-3-5-18(22)12-23(25)35/h3-11,13,16,23,25-26,35H,12,14-15H2,1-2H3,(H,33,36)/t23-,25+,26+/m1/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317972
PNG
(US9624217, Compound 125 | US9624217, Compound 130 ...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C28H28F3N3O2/c1-16(2)26-24-20(15-34(26)14-17-7-9-21(10-8-17)28(29,30)31)11-19(13-32-24)27(36)33-25-22-6-4-3-5-18(22)12-23(25)35/h3-11,13,16,23,25-26,35H,12,14-15H2,1-2H3,(H,33,36)/t23-,25+,26+/m1/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317868
PNG
(US9624217, Compound 21)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C#N)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H28N4O3S/c1-18(2)26-25-23(17-31(26)16-21-6-4-19(13-28)5-7-21)12-22(15-29-25)27(32)30-14-20-8-10-24(11-9-20)35(3,33)34/h4-12,15,18,26H,14,16-17H2,1-3H3,(H,30,32)/t26-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317870
PNG
(US9624217, Compound 23)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(Cl)cn2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H27ClN4O3S/c1-16(2)24-23-19(14-30(24)15-21-7-6-20(26)13-27-21)10-18(12-28-23)25(31)29-11-17-4-8-22(9-5-17)34(3,32)33/h4-10,12-13,16,24H,11,14-15H2,1-3H3,(H,29,31)/t24-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317887
PNG
(US9624217, Compound 40)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@@H](C(C)C)N(Cc4ccc(nc4)C(F)(F)F)Cc3c2)cc1
Show InChI InChI=1S/C27H29F3N4O3S/c1-4-38(36,37)22-8-5-18(6-9-22)12-33-26(35)20-11-21-16-34(25(17(2)3)24(21)32-14-20)15-19-7-10-23(31-13-19)27(28,29)30/h5-11,13-14,17,25H,4,12,15-16H2,1-3H3,(H,33,35)/t25-/m1/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317907
PNG
(US9624217, Compound 60)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](C)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C28H31F3N4O3S/c1-5-39(37,38)23-10-11-24(32-14-23)18(4)34-27(36)20-12-21-16-35(26(17(2)3)25(21)33-13-20)15-19-6-8-22(9-7-19)28(29,30)31/h6-14,17-18,26H,5,15-16H2,1-4H3,(H,34,36)/t18-,26-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317954
PNG
(US9624217, Compound 107)
Show SMILES COC(=O)N1CCC(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)C1
Show InChI InChI=1S/C26H31F3N4O3/c1-16(2)23-22-20(15-33(23)13-17-4-6-21(7-5-17)26(27,28)29)10-19(12-30-22)24(34)31-11-18-8-9-32(14-18)25(35)36-3/h4-7,10,12,16,18,23H,8-9,11,13-15H2,1-3H3,(H,31,34)/t18?,23-/m0/s1
PDB

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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317900
PNG
(US9624217, Compound 53)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1S/C27H35F3N4O3S/c1-4-38(36,37)23-10-9-22(31-14-23)13-33-26(35)19-11-20-16-34(25(17(2)3)24(20)32-12-19)15-18-5-7-21(8-6-18)27(28,29)30/h9-12,14,17-18,21,25H,4-8,13,15-16H2,1-3H3,(H,33,35)/t18-,21-,25-/m1/s1
PDB

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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317925
PNG
(US9624217, Compound 78)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccccn1
Show InChI InChI=1S/C25H25F3N4O/c1-16(2)23-22-19(15-32(23)14-17-6-8-20(9-7-17)25(26,27)28)11-18(12-30-22)24(33)31-13-21-5-3-4-10-29-21/h3-12,16,23H,13-15H2,1-2H3,(H,31,33)/t23-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317963
PNG
(US9624217, Compound 116)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C27H28F3N3O3S/c1-17(2)25-24-21(16-33(25)15-18-7-9-22(10-8-18)27(28,29)30)12-20(14-31-24)26(34)32-13-19-5-4-6-23(11-19)37(3,35)36/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,32,34)/t25-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317859
PNG
(US9624217, Compound 12)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)c2ncc(CO)c(n2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4S/c1-4-39(37,38)20-7-5-16(6-8-20)10-31-24(36)17-9-18-13-34(22(15(2)3)21(18)30-11-17)25-32-12-19(14-35)23(33-25)26(27,28)29/h5-9,11-12,15,22,35H,4,10,13-14H2,1-3H3,(H,31,36)/t22-/m0/s1
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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317960
PNG
(US9624217, Compound 113)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)C(=O)CO
Show InChI InChI=1S/C27H33F3N4O3/c1-17(2)25-24-21(15-34(25)14-19-3-5-22(6-4-19)27(28,29)30)11-20(13-31-24)26(37)32-12-18-7-9-33(10-8-18)23(36)16-35/h3-6,11,13,17-18,25,35H,7-10,12,14-16H2,1-2H3,(H,32,37)/t25-/m0/s1
PDB

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550n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317968
PNG
(US9624217, Compound 121)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCC1C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C29H28ClF3N4O2/c1-16(2)26-25-19(15-37(26)14-17-3-5-20(6-4-17)29(31,32)33)11-18(13-35-25)27(38)34-10-9-22-23-12-21(30)7-8-24(23)36-28(22)39/h3-8,11-13,16,22,26H,9-10,14-15H2,1-2H3,(H,34,38)(H,36,39)/t22?,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317982
PNG
(US9624217, Compound 135)
Show SMILES COC(=O)C(Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C32H31F3N4O4/c1-18(2)29-28-22(17-39(29)16-19-8-10-23(11-9-19)32(33,34)35)12-21(15-36-28)30(41)38-26(31(42)43-3)13-20-14-27(40)37-25-7-5-4-6-24(20)25/h4-12,14-15,18,26,29H,13,16-17H2,1-3H3,(H,37,40)(H,38,41)/t26?,29-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317995
PNG
(US9624217, Compound 148)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O
Show InChI InChI=1S/C27H32F3N3O3/c1-16(2)24-23-21(15-33(24)14-18-5-9-22(10-6-18)27(28,29)30)11-20(13-31-23)25(34)32-12-17-3-7-19(8-4-17)26(35)36/h5-6,9-11,13,16-17,19,24H,3-4,7-8,12,14-15H2,1-2H3,(H,32,34)(H,35,36)/t17-,19-,24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317999
PNG
(US9624217, Compound 152)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCC1CN(C1)S(C)(=O)=O
Show InChI InChI=1S/C25H31F3N4O3S/c1-16(2)23-22-20(15-31(23)12-17-4-6-21(7-5-17)25(26,27)28)10-19(11-30-22)24(33)29-9-8-18-13-32(14-18)36(3,34)35/h4-7,10-11,16,18,23H,8-9,12-15H2,1-3H3,(H,29,33)/t23-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM318001
PNG
(US9624217, Compound 154)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(C1)S(C)(=O)=O
Show InChI InChI=1S/C25H31F3N4O3S/c1-16(2)23-22-20(15-31(23)13-17-4-6-21(7-5-17)25(26,27)28)10-19(12-29-22)24(33)30-11-18-8-9-32(14-18)36(3,34)35/h4-7,10,12,16,18,23H,8-9,11,13-15H2,1-3H3,(H,30,33)/t18?,23-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317884
PNG
(US9624217, Compound 37)
Show SMILES CC(C)[C@H]1N(Cc2ccc(cn2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H27F3N4O3S/c1-16(2)24-23-19(14-33(24)15-21-7-6-20(13-30-21)26(27,28)29)10-18(12-31-23)25(34)32-11-17-4-8-22(9-5-17)37(3,35)36/h4-10,12-13,16,24H,11,14-15H2,1-3H3,(H,32,34)/t24-/m1/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317908
PNG
(US9624217, Compound 61)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C25H30F3N3O3S/c1-16(2)23-22-20(15-31(23)14-18-3-5-21(6-4-18)25(26,27)28)11-19(13-29-22)24(32)30-12-17-7-9-35(33,34)10-8-17/h3-6,11,13,16-17,23H,7-10,12,14-15H2,1-2H3,(H,30,32)/t23-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317941
PNG
(US9624217, Compound 94)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1nnc2CCCn12
Show InChI InChI=1S/C25H27F3N6O/c1-15(2)23-22-18(14-33(23)13-16-5-7-19(8-6-16)25(26,27)28)10-17(11-29-22)24(35)30-12-21-32-31-20-4-3-9-34(20)21/h5-8,10-11,15,23H,3-4,9,12-14H2,1-2H3,(H,30,35)/t23-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317955
PNG
(US9624217, Compound 108)
Show SMILES CNC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)CC1
Show InChI InChI=1S/C28H35F3N4O2/c1-17(2)25-24-22(16-35(25)15-19-6-10-23(11-7-19)28(29,30)31)12-21(14-33-24)27(37)34-13-18-4-8-20(9-5-18)26(36)32-3/h6-7,10-12,14,17-18,20,25H,4-5,8-9,13,15-16H2,1-3H3,(H,32,36)(H,34,37)/t18-,20-,25-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317983
PNG
(US9624217, Compound 136)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC(Cc1cc(=O)[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C31H29F3N4O4/c1-17(2)28-27-21(16-38(28)15-18-7-9-22(10-8-18)31(32,33)34)11-20(14-35-27)29(40)37-25(30(41)42)12-19-13-26(39)36-24-6-4-3-5-23(19)24/h3-11,13-14,17,25,28H,12,15-16H2,1-2H3,(H,36,39)(H,37,40)(H,41,42)/t25?,28-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317897
PNG
(US9624217, Compound 50)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H]([C@H]4CCOC4)N(Cc4ccc(cc4)C#N)Cc3c2)cc1
Show InChI InChI=1S/C29H30N4O4S/c1-2-38(35,36)26-9-7-21(8-10-26)15-32-29(34)24-13-25-18-33(17-22-5-3-20(14-30)4-6-22)28(27(25)31-16-24)23-11-12-37-19-23/h3-10,13,16,23,28H,2,11-12,15,17-19H2,1H3,(H,32,34)/t23-,28-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317924
PNG
(US9624217, Compound 77)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C25H31F3N4O2/c1-17(2)23-22-20(16-32(23)15-18-3-5-21(6-4-18)25(26,27)28)13-19(14-30-22)24(33)29-7-8-31-9-11-34-12-10-31/h3-6,13-14,17,23H,7-12,15-16H2,1-2H3,(H,29,33)/t23-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317926
PNG
(US9624217, Compound 79)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCCN1CCCC1=O
Show InChI InChI=1S/C26H31F3N4O2/c1-17(2)24-23-20(16-33(24)15-18-6-8-21(9-7-18)26(27,28)29)13-19(14-31-23)25(35)30-10-4-12-32-11-3-5-22(32)34/h6-9,13-14,17,24H,3-5,10-12,15-16H2,1-2H3,(H,30,35)/t24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317931
PNG
(US9624217, Compound 84)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1cccnn1
Show InChI InChI=1S/C24H24F3N5O/c1-15(2)22-21-18(14-32(22)13-16-5-7-19(8-6-16)24(25,26)27)10-17(11-28-21)23(33)29-12-20-4-3-9-30-31-20/h3-11,15,22H,12-14H2,1-2H3,(H,29,33)/t22-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317945
PNG
(US9624217, Compound 98)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccccc1OCCN(C)C
Show InChI InChI=1S/C30H35F3N4O2/c1-20(2)28-27-24(19-37(28)18-21-9-11-25(12-10-21)30(31,32)33)15-23(17-34-27)29(38)35-16-22-7-5-6-8-26(22)39-14-13-36(3)4/h5-12,15,17,20,28H,13-14,16,18-19H2,1-4H3,(H,35,38)/t28-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317950
PNG
(US9624217, Compound 103)
Show SMILES COC(=O)N1CC(CCNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)C1
Show InChI InChI=1S/C26H31F3N4O3/c1-16(2)23-22-20(15-32(23)12-17-4-6-21(7-5-17)26(27,28)29)10-19(11-31-22)24(34)30-9-8-18-13-33(14-18)25(35)36-3/h4-7,10-11,16,18,23H,8-9,12-15H2,1-3H3,(H,30,34)/t23-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317959
PNG
(US9624217, Compound 112)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)C(=O)C(C)O
Show InChI InChI=1S/C28H35F3N4O3/c1-17(2)25-24-22(16-35(25)15-20-4-6-23(7-5-20)28(29,30)31)12-21(14-32-24)26(37)33-13-19-8-10-34(11-9-19)27(38)18(3)36/h4-7,12,14,17-19,25,36H,8-11,13,15-16H2,1-3H3,(H,33,37)/t18?,25-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317964
PNG
(US9624217, Compound 117)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC(F)(F)F
Show InChI InChI=1S/C21H21F6N3O/c1-12(2)18-17-15(7-14(8-28-17)19(31)29-11-20(22,23)24)10-30(18)9-13-3-5-16(6-4-13)21(25,26)27/h3-8,12,18H,9-11H2,1-2H3,(H,29,31)/t18-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317992
PNG
(US9624217, Compound 145)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1(CC(O)=O)CCCCC1
Show InChI InChI=1S/C28H34F3N3O3/c1-18(2)25-24-21(16-34(25)15-19-6-8-22(9-7-19)28(29,30)31)12-20(14-32-24)26(37)33-17-27(13-23(35)36)10-4-3-5-11-27/h6-9,12,14,18,25H,3-5,10-11,13,15-17H2,1-2H3,(H,33,37)(H,35,36)/t25-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317997
PNG
(US9624217, Compound 150)
Show SMILES COC(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1S/C27H27F3N4O3/c1-16(2)24-23-20(15-34(24)14-17-4-7-21(8-5-17)27(28,29)30)10-19(12-32-23)25(35)33-13-22-9-6-18(11-31-22)26(36)37-3/h4-12,16,24H,13-15H2,1-3H3,(H,33,35)/t24-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM318003
PNG
(US9624217, Compound 156)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@@H]1CCN(C[C@H]1O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C30H39F3N4O4/c1-18(2)26-25-22(16-37(26)15-19-6-8-23(9-7-19)30(31,32)33)12-21(14-34-25)27(39)35-13-20-10-11-36(17-24(20)38)28(40)41-29(3,4)5/h6-9,12,14,18,20,24,26,38H,10-11,13,15-17H2,1-5H3,(H,35,39)/t20-,24+,26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM318004
PNG
(US9624217, Compound 157)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@@H]1CCN(C[C@H]1OC(C)=O)C(C)=O
Show InChI InChI=1S/C29H35F3N4O4/c1-17(2)27-26-23(15-36(27)14-20-5-7-24(8-6-20)29(30,31)32)11-22(13-33-26)28(39)34-12-21-9-10-35(18(3)37)16-25(21)40-19(4)38/h5-8,11,13,17,21,25,27H,9-10,12,14-16H2,1-4H3,(H,34,39)/t21-,25+,27-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317917
PNG
(US9624217, Compound 70)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC(O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H27F6N3O2/c1-16(2)25-24-20(15-37(25)14-17-3-7-21(8-4-17)27(29,30)31)11-19(12-35-24)26(39)36-13-23(38)18-5-9-22(10-6-18)28(32,33)34/h3-12,16,23,25,38H,13-15H2,1-2H3,(H,36,39)/t23?,25-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317920
PNG
(US9624217, Compound 73)
Show SMILES CN\C(CNC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1)=C/C=N
Show InChI InChI=1S/C24H28F3N5O/c1-15(2)22-21-18(10-17(11-30-21)23(33)31-12-20(29-3)8-9-28)14-32(22)13-16-4-6-19(7-5-16)24(25,26)27/h4-11,15,22,28-29H,12-14H2,1-3H3,(H,31,33)/b20-8-,28-9?/t22-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317922
PNG
(US9624217, Compound 75)
Show SMILES COC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)CC1
Show InChI InChI=1S/C28H34F3N3O3/c1-17(2)25-24-22(16-34(25)15-19-6-10-23(11-7-19)28(29,30)31)12-21(14-32-24)26(35)33-13-18-4-8-20(9-5-18)27(36)37-3/h6-7,10-12,14,17-18,20,25H,4-5,8-9,13,15-16H2,1-3H3,(H,33,35)/t18-,20-,25-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317932
PNG
(US9624217, Compound 85)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1COCCO1
Show InChI InChI=1S/C24H28F3N3O3/c1-15(2)22-21-18(13-30(22)12-16-3-5-19(6-4-16)24(25,26)27)9-17(10-28-21)23(31)29-11-20-14-32-7-8-33-20/h3-6,9-10,15,20,22H,7-8,11-14H2,1-2H3,(H,29,31)/t20?,22-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317935
PNG
(US9624217, Compound 88)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC(N1CCOCC1)c1cccnc1
Show InChI InChI=1S/C30H34F3N5O2/c1-20(2)28-27-24(19-38(28)18-21-5-7-25(8-6-21)30(31,32)33)14-23(16-35-27)29(39)36-17-26(22-4-3-9-34-15-22)37-10-12-40-13-11-37/h3-9,14-16,20,26,28H,10-13,17-19H2,1-2H3,(H,36,39)/t26?,28-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317939
PNG
(US9624217, Compound 92)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC(N(C)C)c1ccncc1
Show InChI InChI=1S/C28H32F3N5O/c1-18(2)26-25-22(17-36(26)16-19-5-7-23(8-6-19)28(29,30)31)13-21(14-33-25)27(37)34-15-24(35(3)4)20-9-11-32-12-10-20/h5-14,18,24,26H,15-17H2,1-4H3,(H,34,37)/t24?,26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317946
PNG
(US9624217, Compound 99)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C26H34F3N5O/c1-18(2)24-23-21(17-34(24)16-19-4-6-22(7-5-19)26(27,28)29)14-20(15-31-23)25(35)30-8-9-33-12-10-32(3)11-13-33/h4-7,14-15,18,24H,8-13,16-17H2,1-3H3,(H,30,35)/t24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317969
PNG
(US9624217, Compound 122)
Show SMILES CC(C)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C22H26F3N3O/c1-13(2)20-19-17(9-16(10-26-19)21(29)27-14(3)4)12-28(20)11-15-5-7-18(8-6-15)22(23,24)25/h5-10,13-14,20H,11-12H2,1-4H3,(H,27,29)/t20-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317972
PNG
(US9624217, Compound 125 | US9624217, Compound 130 ...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C28H28F3N3O2/c1-16(2)26-24-20(15-34(26)14-17-7-9-21(10-8-17)28(29,30)31)11-19(13-32-24)27(36)33-25-22-6-4-3-5-18(22)12-23(25)35/h3-11,13,16,23,25-26,35H,12,14-15H2,1-2H3,(H,33,36)/t23-,25+,26+/m1/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317913
PNG
(US9624217, Compound 66)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCC1CN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C29H37F3N4O3/c1-18(2)25-24-22(17-35(25)14-19-6-8-23(9-7-19)29(30,31)32)12-21(13-34-24)26(37)33-11-10-20-15-36(16-20)27(38)39-28(3,4)5/h6-9,12-13,18,20,25H,10-11,14-17H2,1-5H3,(H,33,37)/t25-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317943
PNG
(US9624217, Compound 96)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCCn1ccnc1
Show InChI InChI=1S/C25H28F3N5O/c1-17(2)23-22-20(15-33(23)14-18-4-6-21(7-5-18)25(26,27)28)12-19(13-31-22)24(34)30-8-3-10-32-11-9-29-16-32/h4-7,9,11-13,16-17,23H,3,8,10,14-15H2,1-2H3,(H,30,34)/t23-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317947
PNG
(US9624217, Compound 100)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(C)CC1
Show InChI InChI=1S/C26H33F3N4O/c1-17(2)24-23-21(16-33(24)15-19-4-6-22(7-5-19)26(27,28)29)12-20(14-30-23)25(34)31-13-18-8-10-32(3)11-9-18/h4-7,12,14,17-18,24H,8-11,13,15-16H2,1-3H3,(H,31,34)/t24-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317957
PNG
(US9624217, Compound 110)
Show SMILES COC(=O)N1CCC(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)CC1
Show InChI InChI=1S/C27H33F3N4O3/c1-17(2)24-23-21(16-34(24)15-19-4-6-22(7-5-19)27(28,29)30)12-20(14-31-23)25(35)32-13-18-8-10-33(11-9-18)26(36)37-3/h4-7,12,14,17-18,24H,8-11,13,15-16H2,1-3H3,(H,32,35)/t24-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317967
PNG
(US9624217, Compound 120)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC1(CC1)c1cnccn1
Show InChI InChI=1S/C26H26F3N5O/c1-16(2)23-22-19(15-34(23)14-17-3-5-20(6-4-17)26(27,28)29)11-18(12-32-22)24(35)33-25(7-8-25)21-13-30-9-10-31-21/h3-6,9-13,16,23H,7-8,14-15H2,1-2H3,(H,33,35)/t23-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317987
PNG
(US9624217, Compound 140)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC(CC(O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C28H27BrF3N3O3/c1-16(2)26-25-20(15-35(26)14-17-3-7-21(8-4-17)28(30,31)32)11-19(13-33-25)27(38)34-23(12-24(36)37)18-5-9-22(29)10-6-18/h3-11,13,16,23,26H,12,14-15H2,1-2H3,(H,34,38)(H,36,37)/t23?,26-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317921
PNG
(US9624217, Compound 74)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C29H37F3N4O3/c1-18(2)25-24-22(17-36(25)15-19-6-8-23(9-7-19)29(30,31)32)12-21(14-33-24)26(37)34-13-20-10-11-35(16-20)27(38)39-28(3,4)5/h6-9,12,14,18,20,25H,10-11,13,15-17H2,1-5H3,(H,34,37)/t20?,25-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317928
PNG
(US9624217, Compound 81)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccccc1CN1CCN(C)CC1
Show InChI InChI=1S/C32H38F3N5O/c1-22(2)30-29-27(21-40(30)19-23-8-10-28(11-9-23)32(33,34)35)16-26(18-36-29)31(41)37-17-24-6-4-5-7-25(24)20-39-14-12-38(3)13-15-39/h4-11,16,18,22,30H,12-15,17,19-21H2,1-3H3,(H,37,41)/t30-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317934
PNG
(US9624217, Compound 87)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC1(CO)Cc2ccccc2C1
Show InChI InChI=1S/C29H30F3N3O2/c1-18(2)26-25-23(16-35(26)15-19-7-9-24(10-8-19)29(30,31)32)11-22(14-33-25)27(37)34-28(17-36)12-20-5-3-4-6-21(20)13-28/h3-11,14,18,26,36H,12-13,15-17H2,1-2H3,(H,34,37)/t26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317965
PNG
(US9624217, Compound 118)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1(O)CCC2(CC1)OCCO2
Show InChI InChI=1S/C28H34F3N3O4/c1-18(2)24-23-21(16-34(24)15-19-3-5-22(6-4-19)28(29,30)31)13-20(14-32-23)25(35)33-17-26(36)7-9-27(10-8-26)37-11-12-38-27/h3-6,13-14,18,24,36H,7-12,15-17H2,1-2H3,(H,33,35)/t24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317966
PNG
(US9624217, Compound 119)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@H](C)c1ccc(Br)cc1
Show InChI InChI=1S/C27H27BrF3N3O/c1-16(2)25-24-21(15-34(25)14-18-4-8-22(9-5-18)27(29,30)31)12-20(13-32-24)26(35)33-17(3)19-6-10-23(28)11-7-19/h4-13,16-17,25H,14-15H2,1-3H3,(H,33,35)/t17-,25+/m1/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317971
PNG
(US9624217, Compound 124)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC(F)F
Show InChI InChI=1S/C21H22F5N3O/c1-12(2)19-18-15(7-14(8-27-18)20(30)28-9-17(22)23)11-29(19)10-13-3-5-16(6-4-13)21(24,25)26/h3-8,12,17,19H,9-11H2,1-2H3,(H,28,30)/t19-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317984
PNG
(US9624217, Compound 137)
Show SMILES COC(=O)CC1(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)CCCCC1
Show InChI InChI=1S/C29H36F3N3O3/c1-19(2)26-25-22(17-35(26)16-20-7-9-23(10-8-20)29(30,31)32)13-21(15-33-25)27(37)34-18-28(14-24(36)38-3)11-5-4-6-12-28/h7-10,13,15,19,26H,4-6,11-12,14,16-18H2,1-3H3,(H,34,37)/t26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317993
PNG
(US9624217, Compound 146)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1(CCOCC1)C(O)=O
Show InChI InChI=1S/C26H30F3N3O4/c1-16(2)22-21-19(14-32(22)13-17-3-5-20(6-4-17)26(27,28)29)11-18(12-30-21)23(33)31-15-25(24(34)35)7-9-36-10-8-25/h3-6,11-12,16,22H,7-10,13-15H2,1-2H3,(H,31,33)(H,34,35)/t22-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM318000
PNG
(US9624217, Compound 153)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CN(C1)S(C)(=O)=O
Show InChI InChI=1S/C24H29F3N4O3S/c1-15(2)22-21-19(14-30(22)11-16-4-6-20(7-5-16)24(25,26)27)8-18(10-28-21)23(32)29-9-17-12-31(13-17)35(3,33)34/h4-8,10,15,17,22H,9,11-14H2,1-3H3,(H,29,32)/t22-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317927
PNG
(US9624217, Compound 80)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H29ClF3N3O/c1-18(2)26-25-21(16-36(26)15-19-3-5-23(6-4-19)29(31,32)33)13-20(14-34-25)27(37)35-17-28(11-12-28)22-7-9-24(30)10-8-22/h3-10,13-14,18,26H,11-12,15-17H2,1-2H3,(H,35,37)/t26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317929
PNG
(US9624217, Compound 82)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1ccn(C)n1
Show InChI InChI=1S/C24H26F3N5O/c1-15(2)22-21-18(14-32(22)13-16-4-6-19(7-5-16)24(25,26)27)10-17(11-28-21)23(33)29-12-20-8-9-31(3)30-20/h4-11,15,22H,12-14H2,1-3H3,(H,29,33)/t22-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317973
PNG
(US9624217, Compound 126)
Show SMILES COC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C29H29F4N3O3/c1-17(2)26-25-21(16-36(26)15-19-4-8-22(9-5-19)29(31,32)33)13-20(14-34-25)27(37)35-24(28(38)39-3)12-18-6-10-23(30)11-7-18/h4-11,13-14,17,24,26H,12,15-16H2,1-3H3,(H,35,37)/t24?,26-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317972
PNG
(US9624217, Compound 125 | US9624217, Compound 130 ...)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C28H28F3N3O2/c1-16(2)26-24-20(15-34(26)14-17-7-9-21(10-8-17)28(29,30)31)11-19(13-32-24)27(36)33-25-22-6-4-3-5-18(22)12-23(25)35/h3-11,13,16,23,25-26,35H,12,14-15H2,1-2H3,(H,33,36)/t23-,25+,26+/m1/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317981
PNG
(US9624217, Compound 134)
Show SMILES COC(=O)C1(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)CCOCC1
Show InChI InChI=1S/C27H32F3N3O4/c1-17(2)23-22-20(15-33(23)14-18-4-6-21(7-5-18)27(28,29)30)12-19(13-31-22)24(34)32-16-26(25(35)36-3)8-10-37-11-9-26/h4-7,12-13,17,23H,8-11,14-16H2,1-3H3,(H,32,34)/t23-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317860
PNG
((S)-6-((4-cyanophenyl)sulfonyl)-N-(4-(ethylsulfony...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C(=O)c3c2)S(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C27H26N4O6S2/c1-4-38(34,35)21-9-7-19(8-10-21)15-30-26(32)20-13-23-24(29-16-20)25(17(2)3)31(27(23)33)39(36,37)22-11-5-18(14-28)6-12-22/h5-13,16-17,25H,4,15H2,1-3H3,(H,30,32)/t25-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317915
PNG
(US9624217, Compound 68)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H35F3N4O3/c1-17(2)24-23-21(16-34(24)13-18-6-8-22(9-7-18)28(29,30)31)10-20(12-32-23)25(36)33-11-19-14-35(15-19)26(37)38-27(3,4)5/h6-10,12,17,19,24H,11,13-16H2,1-5H3,(H,33,36)/t24-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317916
PNG
(US9624217, Compound 69)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCc1cn2cccnc2n1
Show InChI InChI=1S/C26H25F3N6O/c1-16(2)23-22-19(14-35(23)13-17-4-6-20(7-5-17)26(27,28)29)10-18(11-31-22)24(36)32-12-21-15-34-9-3-8-30-25(34)33-21/h3-11,15-16,23H,12-14H2,1-2H3,(H,32,36)/t23-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317940
PNG
(US9624217, Compound 93)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC(N1CCOCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C32H34F6N4O2/c1-20(2)29-28-24(19-42(29)18-21-3-7-25(8-4-21)31(33,34)35)15-23(16-39-28)30(43)40-17-27(41-11-13-44-14-12-41)22-5-9-26(10-6-22)32(36,37)38/h3-10,15-16,20,27,29H,11-14,17-19H2,1-2H3,(H,40,43)/t27?,29-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317944
PNG
(US9624217, Compound 97)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C26H27F3N4O/c1-17(2)24-23-20(16-33(24)15-18-6-8-21(9-7-18)26(27,28)29)13-19(14-32-23)25(34)31-12-10-22-5-3-4-11-30-22/h3-9,11,13-14,17,24H,10,12,15-16H2,1-2H3,(H,31,34)/t24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317952
PNG
(US9624217, Compound 105)
Show SMILES COC(=O)N1CC(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)C1
Show InChI InChI=1S/C25H29F3N4O3/c1-15(2)22-21-19(14-31(22)11-16-4-6-20(7-5-16)25(26,27)28)8-18(10-29-21)23(33)30-9-17-12-32(13-17)24(34)35-3/h4-8,10,15,17,22H,9,11-14H2,1-3H3,(H,30,33)/t22-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317961
PNG
(US9624217, Compound 114)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCC1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H33F3N4O2/c1-17(2)25-24-22(16-34(25)15-20-4-6-23(7-5-20)27(28,29)30)12-21(14-31-24)26(36)32-13-19-8-10-33(11-9-19)18(3)35/h4-7,12,14,17,19,25H,8-11,13,15-16H2,1-3H3,(H,32,36)/t25-/m0/s1
PDB

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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317985
PNG
(US9624217, Compound 138)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC(Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C28H27F4N3O3/c1-16(2)25-24-20(15-35(25)14-18-3-7-21(8-4-18)28(30,31)32)12-19(13-33-24)26(36)34-23(27(37)38)11-17-5-9-22(29)10-6-17/h3-10,12-13,16,23,25H,11,14-15H2,1-2H3,(H,34,36)(H,37,38)/t23?,25-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317865
PNG
(US9624217, Compound 18)
Show SMILES CC(C)[C@H]1N(Cc2ccc(Cl)cc2)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C26H28ClN3O3S/c1-17(2)25-24-21(16-30(25)15-19-4-8-22(27)9-5-19)12-20(14-28-24)26(31)29-13-18-6-10-23(11-7-18)34(3,32)33/h4-12,14,17,25H,13,15-16H2,1-3H3,(H,29,31)/t25-/m1/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317866
PNG
(US9624217, Compound 19)
Show SMILES CC(C)[C@H]1N(Cc2ccc(cc2)C#N)Cc2cc(cnc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C27H28N4O3S/c1-18(2)26-25-23(17-31(26)16-21-6-4-19(13-28)5-7-21)12-22(15-29-25)27(32)30-14-20-8-10-24(11-9-20)35(3,33)34/h4-12,15,18,26H,14,16-17H2,1-3H3,(H,30,32)/t26-/m1/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317895
PNG
(US9624217, Compound 48)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H]([C@@H]4CCOC4)N(Cc4ccc(cc4)C#N)Cc3c2)cc1
Show InChI InChI=1S/C29H30N4O4S/c1-2-38(35,36)26-9-7-21(8-10-26)15-32-29(34)24-13-25-18-33(17-22-5-3-20(14-30)4-6-22)28(27(25)31-16-24)23-11-12-37-19-23/h3-10,13,16,23,28H,2,11-12,15,17-19H2,1H3,(H,32,34)/t23-,28+/m1/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317909
PNG
(US9624217, Compound 62)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCC1CCS(=O)(=O)CC1
Show InChI InChI=1S/C26H32F3N3O3S/c1-17(2)24-23-21(16-32(24)15-19-3-5-22(6-4-19)26(27,28)29)13-20(14-31-23)25(33)30-10-7-18-8-11-36(34,35)12-9-18/h3-6,13-14,17-18,24H,7-12,15-16H2,1-2H3,(H,30,33)/t24-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317933
PNG
(US9624217, Compound 86)
Show SMILES CCS(=O)(=O)CCNC(=O)c1cnc2[C@H](C(C)C)N(Cc3ccc(cc3)C(F)(F)F)Cc2c1
Show InChI InChI=1S/C23H28F3N3O3S/c1-4-33(31,32)10-9-27-22(30)17-11-18-14-29(21(15(2)3)20(18)28-12-17)13-16-5-7-19(8-6-16)23(24,25)26/h5-8,11-12,15,21H,4,9-10,13-14H2,1-3H3,(H,27,30)/t21-/m0/s1
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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 US9624217 (2017)

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


(Homo sapiens (Human))
BDBM317948
PNG
(US9624217, Compound 101)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NCCc1ccnc(O)c1
Show InChI InChI=1S/C26H27F3N4O2/c1-16(2)24-23-20(15-33(24)14-18-3-5-21(6-4-18)26(27,28)29)12-19(13-32-23)25(35)31-10-8-17-7-9-30-22(34)11-17/h3-7,9,11-13,16,24H,8,10,14-15H2,1-2H3,(H,30,34)(H,31,35)/t24-/m0/s1
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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 US9624217 (2017)

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