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Patent code US9868748

Compile Data Set for Download or QSAR
Found 113 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))
BDBM365618
PNG
(US9868748, I-A2)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H28F3N3O3S2/c1-4-37(34,35)20-11-7-17(8-12-20)13-22(33)30-25-31-23-21(36-25)15-32(24(23)16(2)3)14-18-5-9-19(10-6-18)26(27,28)29/h5-12,16,24H,4,13-15H2,1-3H3,(H,30,31,33)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365637
PNG
(US9868748, I-A20)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CCN(CC(F)(F)F)CC4)Cc3s2)cc1
Show InChI InChI=1S/C26H35F3N4O3S2/c1-4-38(35,36)20-7-5-18(6-8-20)13-22(34)30-25-31-23-21(37-25)15-33(24(23)17(2)3)14-19-9-11-32(12-10-19)16-26(27,28)29/h5-8,17,19,24H,4,9-16H2,1-3H3,(H,30,31,34)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365651
PNG
(US9868748, I-A34)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H30F3N3O3S2/c1-5-38(35,36)21-12-6-18(7-13-21)14-23(34)31-26-32-24-22(37-26)15-33(25(24)16(2)3)17(4)19-8-10-20(11-9-19)27(28,29)30/h6-13,16-17,25H,5,14-15H2,1-4H3,(H,31,32,34)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365667
PNG
(US9868748, I-A50)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(C#N)c(C)n2)cc1
Show InChI InChI=1S/C27H31N5O3S2/c1-6-37(34,35)21-10-7-19(8-11-21)13-24(33)30-27-31-25-23(36-27)15-32(26(25)16(2)3)18(5)22-12-9-20(14-28)17(4)29-22/h7-12,16,18,26H,6,13,15H2,1-5H3,(H,30,31,33)/t18-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365699
PNG
(US9868748, I-C3)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(OC(F)(F)F)cc4Cl)Cc3s2)nc1
Show InChI InChI=1S/C25H26ClF3N4O4S2/c1-4-39(35,36)18-8-6-16(30-11-18)9-21(34)31-24-32-22-20(38-24)13-33(23(22)14(2)3)12-15-5-7-17(10-19(15)26)37-25(27,28)29/h5-8,10-11,14,23H,4,9,12-13H2,1-3H3,(H,31,32,34)/t23-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365701
PNG
(US9868748, I-C5)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(c(Cl)c4)C(F)(F)F)Cc3s2)nc1
Show InChI InChI=1S/C25H26ClF3N4O3S2/c1-4-38(35,36)17-7-6-16(30-11-17)10-21(34)31-24-32-22-20(37-24)13-33(23(22)14(2)3)12-15-5-8-18(19(26)9-15)25(27,28)29/h5-9,11,14,23H,4,10,12-13H2,1-3H3,(H,31,32,34)/t23-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365704
PNG
(US9868748, I-C8)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(CC4CC[C@@](CC4)(OC)C(F)(F)F)Cc3s2)nc1
Show InChI InChI=1S/C26H35F3N4O4S2/c1-5-39(35,36)19-7-6-18(30-13-19)12-21(34)31-24-32-22-20(38-24)15-33(23(22)16(2)3)14-17-8-10-25(37-4,11-9-17)26(27,28)29/h6-7,13,16-17,23H,5,8-12,14-15H2,1-4H3,(H,31,32,34)/t17?,23-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365711
PNG
(US9868748, I-E1)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NC(=O)Cc3ccc(cc3)C#N)nc12
Show InChI InChI=1S/C24H23ClN4OS/c1-15(2)23-22-20(14-29(23)13-18-7-9-19(25)10-8-18)31-24(28-22)27-21(30)11-16-3-5-17(12-26)6-4-16/h3-10,15,23H,11,13-14H2,1-2H3,(H,27,28,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365721
PNG
(US9868748, I-J4)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H28F3N3O3S2/c1-4-37(34,35)20-11-7-17(8-12-20)13-30-24(33)25-31-22-21(36-25)15-32(23(22)16(2)3)14-18-5-9-19(10-6-18)26(27,28)29/h5-12,16,23H,4,13-15H2,1-3H3,(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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365725
PNG
(US9868748, I-K2)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(OC(F)F)cc2)Cc2sc(nc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H27F2N3O4S2/c1-15(2)22-21-20(14-30(22)13-17-4-8-18(9-5-17)34-25(26)27)35-24(29-21)23(31)28-12-16-6-10-19(11-7-16)36(3,32)33/h4-11,15,22,25H,12-14H2,1-3H3,(H,28,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365619
PNG
(US9868748, I-A3)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3s2)cc1
Show InChI InChI=1S/C25H28ClN3O3S2/c1-4-34(31,32)20-11-7-17(8-12-20)13-22(30)27-25-28-23-21(33-25)15-29(24(23)16(2)3)14-18-5-9-19(26)10-6-18/h5-12,16,24H,4,13-15H2,1-3H3,(H,27,28,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365626
PNG
(US9868748, I-A9)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4nnc(o4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C22H24F3N5O4S2/c1-4-36(32,33)14-7-5-13(6-8-14)9-16(31)26-21-27-18-15(35-21)10-30(19(18)12(2)3)11-17-28-29-20(34-17)22(23,24)25/h5-8,12,19H,4,9-11H2,1-3H3,(H,26,27,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365634
PNG
(US9868748, I-A17)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H34F3N3O3S2/c1-4-37(34,35)20-11-7-17(8-12-20)13-22(33)30-25-31-23-21(36-25)15-32(24(23)16(2)3)14-18-5-9-19(10-6-18)26(27,28)29/h7-8,11-12,16,18-19,24H,4-6,9-10,13-15H2,1-3H3,(H,30,31,33)/t18-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365645
PNG
(US9868748, I-A28)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](CC4)C(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H35F2N3O3S2/c1-4-36(33,34)20-11-7-17(8-12-20)13-22(32)29-26-30-23-21(35-26)15-31(24(23)16(2)3)14-18-5-9-19(10-6-18)25(27)28/h7-8,11-12,16,18-19,24-25H,4-6,9-10,13-15H2,1-3H3,(H,29,30,32)/t18?,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365648
PNG
(US9868748, I-A31)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(nc4OC)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H29F3N4O4S2/c1-5-39(35,36)18-9-6-16(7-10-18)12-21(34)31-25-32-22-19(38-25)14-33(23(22)15(2)3)13-17-8-11-20(26(27,28)29)30-24(17)37-4/h6-11,15,23H,5,12-14H2,1-4H3,(H,31,32,34)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365654
PNG
(US9868748, I-A37)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H29F4N3O3S2/c1-5-39(36,37)19-9-6-17(7-10-19)12-23(35)32-26-33-24-22(38-26)14-34(25(24)15(2)3)16(4)20-11-8-18(13-21(20)28)27(29,30)31/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,32,33,35)/t16-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365660
PNG
(US9868748, I-A43)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(C[C@H]4CN(CCO4)C(=O)OC(C)(C)C)Cc3s2)cc1
Show InChI InChI=1S/C28H40N4O6S2/c1-7-40(35,36)21-10-8-19(9-11-21)14-23(33)29-26-30-24-22(39-26)17-32(25(24)18(2)3)16-20-15-31(12-13-37-20)27(34)38-28(4,5)6/h8-11,18,20,25H,7,12-17H2,1-6H3,(H,29,30,33)/t20-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365664
PNG
(US9868748, I-A47)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C25H29ClN4O3S2/c1-5-35(32,33)19-9-6-17(7-10-19)12-22(31)28-25-29-23-21(34-25)14-30(24(23)15(2)3)16(4)20-11-8-18(26)13-27-20/h6-11,13,15-16,24H,5,12,14H2,1-4H3,(H,28,29,31)/t16-,24+/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365666
PNG
(US9868748, I-A49)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2cc(C)c(cn2)C#N)cc1
Show InChI InChI=1S/C27H31N5O3S2/c1-6-37(34,35)21-9-7-19(8-10-21)12-24(33)30-27-31-25-23(36-27)15-32(26(25)16(2)3)18(5)22-11-17(4)20(13-28)14-29-22/h7-11,14,16,18,26H,6,12,15H2,1-5H3,(H,30,31,33)/t18-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365673
PNG
(US9868748, I-A60)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(C)=O)Cc3s2)cc1
Show InChI InChI=1S/C27H31N3O4S2/c1-5-36(33,34)22-12-8-19(9-13-22)14-24(32)28-27-29-25-23(35-27)16-30(26(25)17(2)3)15-20-6-10-21(11-7-20)18(4)31/h6-13,17,26H,5,14-16H2,1-4H3,(H,28,29,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365675
PNG
(US9868748, I-A62)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(nc4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C25H27F3N4O3S2/c1-4-37(34,35)18-8-5-16(6-9-18)11-21(33)30-24-31-22-19(36-24)14-32(23(22)15(2)3)13-17-7-10-20(29-12-17)25(26,27)28/h5-10,12,15,23H,4,11,13-14H2,1-3H3,(H,30,31,33)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365680
PNG
(US9868748, I-B3)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(C#N)c(F)c2)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C25H25FN4O3S2/c1-15(2)24-23-21(14-30(24)13-17-4-7-18(12-27)20(26)10-17)34-25(29-23)28-22(31)11-16-5-8-19(9-6-16)35(3,32)33/h4-10,15,24H,11,13-14H2,1-3H3,(H,28,29,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365682
PNG
(US9868748, I-B5)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(nc2)C(F)(F)F)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C24H25F3N4O3S2/c1-14(2)22-21-18(13-31(22)12-16-6-9-19(28-11-16)24(25,26)27)35-23(30-21)29-20(32)10-15-4-7-17(8-5-15)36(3,33)34/h4-9,11,14,22H,10,12-13H2,1-3H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365688
PNG
(US9868748, I-B11)
Show SMILES CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12)[C@@H](C)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C26H27FN4O3S2/c1-15(2)25-24-22(14-31(25)16(3)18-7-8-19(13-28)21(27)12-18)35-26(30-24)29-23(32)11-17-5-9-20(10-6-17)36(4,33)34/h5-10,12,15-16,25H,11,14H2,1-4H3,(H,29,30,32)/t16-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365696
PNG
(US9868748, I-B19)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C#N)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C25H26N4O3S2/c1-16(2)24-23-21(15-29(24)14-19-6-4-18(13-26)5-7-19)33-25(28-23)27-22(30)12-17-8-10-20(11-9-17)34(3,31)32/h4-11,16,24H,12,14-15H2,1-3H3,(H,27,28,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365698
PNG
(US9868748, I-C2)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(OC(C)C)cc4)Cc3s2)nc1
Show InChI InChI=1S/C27H34N4O4S2/c1-6-37(33,34)22-12-9-20(28-14-22)13-24(32)29-27-30-25-23(36-27)16-31(26(25)17(2)3)15-19-7-10-21(11-8-19)35-18(4)5/h7-12,14,17-18,26H,6,13,15-16H2,1-5H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365715
PNG
(US9868748, I-H2)
Show SMILES CC[C@H](C)C1N(Cc2ccc(C#N)c(F)c2)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C26H27FN4O3S2/c1-4-16(2)25-24-22(15-31(25)14-18-5-8-19(13-28)21(27)11-18)35-26(30-24)29-23(32)12-17-6-9-20(10-7-17)36(3,33)34/h5-11,16,25H,4,12,14-15H2,1-3H3,(H,29,30,32)/t16-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365730
PNG
(US9868748, I-M1)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cc2)C#N)Cc2sc(NC(=O)Cc3ccc(cc3F)S(C)(=O)=O)nc12
Show InChI InChI=1S/C25H25FN4O3S2/c1-15(2)24-23-21(14-30(24)13-17-6-4-16(12-27)5-7-17)34-25(29-23)28-22(31)10-18-8-9-19(11-20(18)26)35(3,32)33/h4-9,11,15,24H,10,13-14H2,1-3H3,(H,28,29,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365616
PNG
(US9868748, I-A1)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(OC(F)F)cc4)Cc3s2)cc1
Show InChI InChI=1S/C26H29F2N3O4S2/c1-4-37(33,34)20-11-7-17(8-12-20)13-22(32)29-26-30-23-21(36-26)15-31(24(23)16(2)3)14-18-5-9-19(10-6-18)35-25(27)28/h5-12,16,24-25H,4,13-15H2,1-3H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365620
PNG
(US9868748, I-A4)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(C#N)c(F)c4)Cc3s2)cc1
Show InChI InChI=1S/C26H27FN4O3S2/c1-4-36(33,34)20-9-6-17(7-10-20)12-23(32)29-26-30-24-22(35-26)15-31(25(24)16(2)3)14-18-5-8-19(13-28)21(27)11-18/h5-11,16,25H,4,12,14-15H2,1-3H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365628
PNG
(US9868748, I-A11)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cn4)Cc3s2)cc1
Show InChI InChI=1S/C24H27ClN4O3S2/c1-4-34(31,32)19-9-5-16(6-10-19)11-21(30)27-24-28-22-20(33-24)14-29(23(22)15(2)3)13-18-8-7-17(25)12-26-18/h5-10,12,15,23H,4,11,13-14H2,1-3H3,(H,27,28,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365631
PNG
(US9868748, I-A14)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(F)cc4)Cc3s2)cc1
Show InChI InChI=1S/C25H28FN3O3S2/c1-4-34(31,32)20-11-7-17(8-12-20)13-22(30)27-25-28-23-21(33-25)15-29(24(23)16(2)3)14-18-5-9-19(26)10-6-18/h5-12,16,24H,4,13-15H2,1-3H3,(H,27,28,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365640
PNG
(US9868748, I-A23)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](CC4)c4nnc(C)o4)Cc3s2)cc1
Show InChI InChI=1S/C28H37N5O4S2/c1-5-39(35,36)22-12-8-19(9-13-22)14-24(34)29-28-30-25-23(38-28)16-33(26(25)17(2)3)15-20-6-10-21(11-7-20)27-32-31-18(4)37-27/h8-9,12-13,17,20-21,26H,5-7,10-11,14-16H2,1-4H3,(H,29,30,34)/t20?,21-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365642
PNG
(US9868748, I-A25)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2cc(Br)ccc2F)cc1
Show InChI InChI=1S/C26H29BrFN3O3S2/c1-5-36(33,34)19-9-6-17(7-10-19)12-23(32)29-26-30-24-22(35-26)14-31(25(24)15(2)3)16(4)20-13-18(27)8-11-21(20)28/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,29,30,32)/t16-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365646
PNG
(US9868748, I-A29)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](N(C)C4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H35F3N4O3S2/c1-5-38(35,36)19-9-6-17(7-10-19)12-22(34)30-25-31-23-20(37-25)15-33(24(23)16(2)3)14-18-8-11-21(26(27,28)29)32(4)13-18/h6-7,9-10,16,18,21,24H,5,8,11-15H2,1-4H3,(H,30,31,34)/t18?,21-,24+/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365647
PNG
(US9868748, I-A30)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@H](N(C)C4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H35F3N4O3S2/c1-5-38(35,36)19-9-6-17(7-10-19)12-22(34)30-25-31-23-20(37-25)15-33(24(23)16(2)3)14-18-8-11-21(26(27,28)29)32(4)13-18/h6-7,9-10,16,18,21,24H,5,8,11-15H2,1-4H3,(H,30,31,34)/t18?,21-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365649
PNG
(US9868748, I-A32)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)C(C)c2c(F)cc(Cl)cc2F)cc1
Show InChI InChI=1S/C26H28ClF2N3O3S2/c1-5-37(34,35)18-8-6-16(7-9-18)10-22(33)30-26-31-24-21(36-26)13-32(25(24)14(2)3)15(4)23-19(28)11-17(27)12-20(23)29/h6-9,11-12,14-15,25H,5,10,13H2,1-4H3,(H,30,31,33)/t15?,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365658
PNG
(US9868748, I-A41)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(C[C@@H]4CCN(CO4)C(=O)OC(C)(C)C)Cc3s2)cc1
Show InChI InChI=1S/C28H40N4O6S2/c1-7-40(35,36)21-10-8-19(9-11-21)14-23(33)29-26-30-24-22(39-26)16-32(25(24)18(2)3)15-20-12-13-31(17-37-20)27(34)38-28(4,5)6/h8-11,18,20,25H,7,12-17H2,1-6H3,(H,29,30,33)/t20-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365659
PNG
(US9868748, I-A42)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3s2)cc1
Show InChI InChI=1S/C27H31N7O3S2/c1-5-39(36,37)21-12-8-18(9-13-21)14-23(35)28-27-29-24-22(38-27)16-34(25(24)17(2)3)15-19-6-10-20(11-7-19)26-30-32-33(4)31-26/h6-13,17,25H,5,14-16H2,1-4H3,(H,28,29,35)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365662
PNG
(US9868748, I-A45)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4C#N)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C27H27F3N4O3S2/c1-4-39(36,37)21-9-5-17(6-10-21)11-23(35)32-26-33-24-22(38-26)15-34(25(24)16(2)3)14-18-7-8-20(27(28,29)30)12-19(18)13-31/h5-10,12,16,25H,4,11,14-15H2,1-3H3,(H,32,33,35)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365665
PNG
(US9868748, I-A48)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(Cl)cn2)cc1
Show InChI InChI=1S/C25H29ClN4O3S2/c1-5-35(32,33)19-9-6-17(7-10-19)12-22(31)28-25-29-23-21(34-25)14-30(24(23)15(2)3)16(4)20-11-8-18(26)13-27-20/h6-11,13,15-16,24H,5,12,14H2,1-4H3,(H,28,29,31)/t16-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365622
PNG
(US9868748, I-A58 | US9868748, I-A6)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4cnc(nc4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C24H26F3N5O3S2/c1-4-37(34,35)17-7-5-15(6-8-17)9-19(33)30-23-31-20-18(36-23)13-32(21(20)14(2)3)12-16-10-28-22(29-11-16)24(25,26)27/h5-8,10-11,14,21H,4,9,12-13H2,1-3H3,(H,30,31,33)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365679
PNG
(US9868748, I-B2)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(OC(F)F)cc2)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C25H27F2N3O4S2/c1-15(2)23-22-20(14-30(23)13-17-4-8-18(9-5-17)34-24(26)27)35-25(29-22)28-21(31)12-16-6-10-19(11-7-16)36(3,32)33/h4-11,15,23-24H,12-14H2,1-3H3,(H,28,29,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365683
PNG
(US9868748, I-B6)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(Cl)c(C)n2)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C24H27ClN4O3S2/c1-14(2)23-22-20(13-29(23)12-17-7-10-19(25)15(3)26-17)33-24(28-22)27-21(30)11-16-5-8-18(9-6-16)34(4,31)32/h5-10,14,23H,11-13H2,1-4H3,(H,27,28,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365685
PNG
(US9868748, I-B8)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(C#N)c(Cl)c2)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C25H25ClN4O3S2/c1-15(2)24-23-21(14-30(24)13-17-4-7-18(12-27)20(26)10-17)34-25(29-23)28-22(31)11-16-5-8-19(9-6-16)35(3,32)33/h4-10,15,24H,11,13-14H2,1-3H3,(H,28,29,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365691
PNG
(US9868748, I-B14)
Show SMILES CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12)[C@@H](C)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H28N4O3S2/c1-16(2)25-24-22(15-30(25)17(3)20-9-5-19(14-27)6-10-20)34-26(29-24)28-23(31)13-18-7-11-21(12-8-18)35(4,32)33/h5-12,16-17,25H,13,15H2,1-4H3,(H,28,29,31)/t17-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365692
PNG
(US9868748, I-B15)
Show SMILES CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12)[C@H](C)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H28N4O3S2/c1-16(2)25-24-22(15-30(25)17(3)20-9-5-19(14-27)6-10-20)34-26(29-24)28-23(31)13-18-7-11-21(12-8-18)35(4,32)33/h5-12,16-17,25H,13,15H2,1-4H3,(H,28,29,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365717
PNG
(US9868748, I-I1)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3c(CN(Cc4ccc(cn4)C#N)[C@@]3(C)C(C)C)s2)cc1
Show InChI InChI=1S/C26H29N5O3S2/c1-5-36(33,34)21-10-7-18(8-11-21)12-23(32)29-25-30-24-22(35-25)16-31(26(24,4)17(2)3)15-20-9-6-19(13-27)14-28-20/h6-11,14,17H,5,12,15-16H2,1-4H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365722
PNG
(US9868748, I-J5)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(CC4CCN(CO4)OC(C)(C)C)Cc3s2)cc1
Show InChI InChI=1S/C27H40N4O5S2/c1-7-38(33,34)21-10-8-19(9-11-21)14-28-25(32)26-29-23-22(37-26)16-30(24(23)18(2)3)15-20-12-13-31(17-35-20)36-27(4,5)6/h8-11,18,20,24H,7,12-17H2,1-6H3,(H,28,32)/t20?,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365724
PNG
(US9868748, I-K1)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(Cl)cn2)Cc2sc(nc12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H25ClN4O3S2/c1-14(2)21-20-19(13-28(21)12-17-7-6-16(24)11-25-17)32-23(27-20)22(29)26-10-15-4-8-18(9-5-15)33(3,30)31/h4-9,11,14,21H,10,12-13H2,1-3H3,(H,26,29)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365726
PNG
(US9868748, I-K3)
Show SMILES COC(=O)c1ccc(CN2Cc3sc(nc3[C@@H]2C(C)C)C(=O)NCc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C26H29N3O5S2/c1-16(2)23-22-21(15-29(23)14-18-5-9-19(10-6-18)26(31)34-3)35-25(28-22)24(30)27-13-17-7-11-20(12-8-17)36(4,32)33/h5-12,16,23H,13-15H2,1-4H3,(H,27,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365630
PNG
(US9868748, I-A13)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4F)C#N)Cc3s2)cc1
Show InChI InChI=1S/C26H27FN4O3S2/c1-4-36(33,34)20-9-6-17(7-10-20)12-23(32)29-26-30-24-22(35-26)15-31(25(24)16(2)3)14-19-8-5-18(13-28)11-21(19)27/h5-11,16,25H,4,12,14-15H2,1-3H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365632
PNG
(US9868748, I-A15)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3s2)cc1
Show InChI InChI=1S/C26H28N4O3S2/c1-4-35(32,33)21-11-9-18(10-12-21)13-23(31)28-26-29-24-22(34-26)16-30(25(24)17(2)3)15-20-7-5-19(14-27)6-8-20/h5-12,17,25H,4,13,15-16H2,1-3H3,(H,28,29,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365639
PNG
(US9868748, I-A22)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(n(C)c4)C(F)(F)F)Cc3s2)cc1
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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365656
PNG
(US9868748, I-A39)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C26H29ClFN3O3S2/c1-5-36(33,34)19-9-6-17(7-10-19)12-23(32)29-26-30-24-22(35-26)14-31(25(24)15(2)3)16(4)20-11-8-18(27)13-21(20)28/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,29,30,32)/t16-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365657
PNG
(US9868748, I-A40)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnnn4C)Cc3s2)cc1
Show InChI InChI=1S/C27H31N7O3S2/c1-5-39(36,37)21-12-8-18(9-13-21)14-23(35)28-27-29-24-22(38-27)16-34(25(24)17(2)3)15-19-6-10-20(11-7-19)26-30-31-32-33(26)4/h6-13,17,25H,5,14-16H2,1-4H3,(H,28,29,35)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365687
PNG
(US9868748, I-B9)
Show SMILES CC(C)[C@@H]1N(Cc2nnn(C)n2)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C20H25N7O3S2/c1-12(2)19-18-15(10-27(19)11-16-23-25-26(3)24-16)31-20(22-18)21-17(28)9-13-5-7-14(8-6-13)32(4,29)30/h5-8,12,19H,9-11H2,1-4H3,(H,21,22,28)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365706
PNG
(US9868748, I-C10)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(C#N)c(Cl)c4)Cc3s2)nc1
Show InChI InChI=1S/C25H26ClN5O3S2/c1-4-36(33,34)19-8-7-18(28-12-19)10-22(32)29-25-30-23-21(35-25)14-31(24(23)15(2)3)13-16-5-6-17(11-27)20(26)9-16/h5-9,12,15,24H,4,10,13-14H2,1-3H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365716
PNG
(US9868748, I-H3)
Show SMILES CC[C@H](C)C1N(Cc2ccc(Cl)cn2)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C24H27ClN4O3S2/c1-4-15(2)23-22-20(14-29(23)13-18-8-7-17(25)12-26-18)33-24(28-22)27-21(30)11-16-5-9-19(10-6-16)34(3,31)32/h5-10,12,15,23H,4,11,13-14H2,1-3H3,(H,27,28,30)/t15-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365729
PNG
(US9868748, I-L3)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc5OC(F)(F)Oc5c4)Cc3s2)nc1
Show InChI InChI=1S/C25H26F2N4O5S2/c1-4-38(33,34)17-7-6-16(28-11-17)10-29-23(32)24-30-21-20(37-24)13-31(22(21)14(2)3)12-15-5-8-18-19(9-15)36-25(26,27)35-18/h5-9,11,14,22H,4,10,12-13H2,1-3H3,(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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365622
PNG
(US9868748, I-A58 | US9868748, I-A6)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4cnc(nc4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C24H26F3N5O3S2/c1-4-37(34,35)17-7-5-15(6-8-17)9-19(33)30-23-31-20-18(36-23)13-32(21(20)14(2)3)12-16-10-28-22(29-11-16)24(25,26)27/h5-8,10-11,14,21H,4,9,12-13H2,1-3H3,(H,30,31,33)/t21-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365627
PNG
(US9868748, I-A10)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ncc(Cl)cc4F)Cc3s2)cc1
Show InChI InChI=1S/C24H26ClFN4O3S2/c1-4-35(32,33)17-7-5-15(6-8-17)9-21(31)28-24-29-22-20(34-24)13-30(23(22)14(2)3)12-19-18(26)10-16(25)11-27-19/h5-8,10-11,14,23H,4,9,12-13H2,1-3H3,(H,28,29,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365641
PNG
(US9868748, I-A24)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2cc(Br)ccc2F)cc1
Show InChI InChI=1S/C26H29BrFN3O3S2/c1-5-36(33,34)19-9-6-17(7-10-19)12-23(32)29-26-30-24-22(35-26)14-31(25(24)15(2)3)16(4)20-13-18(27)8-11-21(20)28/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,29,30,32)/t16-,25+/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365644
PNG
(US9868748, I-A27)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@H](OC4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C25H32F3N3O4S2/c1-4-37(33,34)18-8-5-16(6-9-18)11-21(32)29-24-30-22-19(36-24)13-31(23(22)15(2)3)12-17-7-10-20(35-14-17)25(26,27)28/h5-6,8-9,15,17,20,23H,4,7,10-14H2,1-3H3,(H,29,30,32)/t17?,20-,23-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365669
PNG
(US9868748, I-A53)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ncc(Cl)cc2F)cc1
Show InChI InChI=1S/C25H28ClFN4O3S2/c1-5-36(33,34)18-8-6-16(7-9-18)10-21(32)29-25-30-23-20(35-25)13-31(24(23)14(2)3)15(4)22-19(27)11-17(26)12-28-22/h6-9,11-12,14-15,24H,5,10,13H2,1-4H3,(H,29,30,32)/t15-,24-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365674
PNG
(US9868748, I-A61)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H29F2N3O3S2/c1-4-36(33,34)20-11-7-17(8-12-20)13-22(32)29-26-30-23-21(35-26)15-31(24(23)16(2)3)14-18-5-9-19(10-6-18)25(27)28/h5-12,16,24-25H,4,13-15H2,1-3H3,(H,29,30,32)/t24-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365678
PNG
(US9868748, I-B1)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C24H26ClN3O3S2/c1-15(2)23-22-20(14-28(23)13-17-4-8-18(25)9-5-17)32-24(27-22)26-21(29)12-16-6-10-19(11-7-16)33(3,30)31/h4-11,15,23H,12-14H2,1-3H3,(H,26,27,29)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365686
PNG
(US9868748, I-B10)
Show SMILES CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12)[C@H](C)c1ccc(cc1Cl)C#N
Show InChI InChI=1S/C26H27ClN4O3S2/c1-15(2)25-24-22(14-31(25)16(3)20-10-7-18(13-28)11-21(20)27)35-26(30-24)29-23(32)12-17-5-8-19(9-6-17)36(4,33)34/h5-11,15-16,25H,12,14H2,1-4H3,(H,29,30,32)/t16-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365690
PNG
(US9868748, I-B13)
Show SMILES CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12)[C@H](C)c1ccc(nc1C)C(F)(F)F
Show InChI InChI=1S/C26H29F3N4O3S2/c1-14(2)24-23-20(13-33(24)16(4)19-10-11-21(26(27,28)29)30-15(19)3)37-25(32-23)31-22(34)12-17-6-8-18(9-7-17)38(5,35)36/h6-11,14,16,24H,12-13H2,1-5H3,(H,31,32,34)/t16-,24+/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365719
PNG
(US9868748, I-J2)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3s2)cc1
Show InChI InChI=1S/C26H28N4O3S2/c1-4-35(32,33)21-11-9-19(10-12-21)14-28-25(31)26-29-23-22(34-26)16-30(24(23)17(2)3)15-20-7-5-18(13-27)6-8-20/h5-12,17,24H,4,14-16H2,1-3H3,(H,28,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365621
PNG
(US9868748, I-A5)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(nc4)C#N)Cc3s2)cc1
Show InChI InChI=1S/C25H27N5O3S2/c1-4-35(32,33)20-9-6-17(7-10-20)11-22(31)28-25-29-23-21(34-25)15-30(24(23)16(2)3)14-18-5-8-19(12-26)27-13-18/h5-10,13,16,24H,4,11,14-15H2,1-3H3,(H,28,29,31)/t24-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365629
PNG
(US9868748, I-A12)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cn4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C25H27F3N4O3S2/c1-4-37(34,35)19-9-5-16(6-10-19)11-21(33)30-24-31-22-20(36-24)14-32(23(22)15(2)3)13-18-8-7-17(12-29-18)25(26,27)28/h5-10,12,15,23H,4,11,13-14H2,1-3H3,(H,30,31,33)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365635
PNG
(US9868748, I-A18)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4ccn(C)c(=O)c4)Cc3s2)cc1
Show InChI InChI=1S/C31H34N4O4S2/c1-5-41(38,39)25-12-8-21(9-13-25)16-27(36)32-31-33-29-26(40-31)19-35(30(29)20(2)3)18-22-6-10-23(11-7-22)24-14-15-34(4)28(37)17-24/h6-15,17,20,30H,5,16,18-19H2,1-4H3,(H,32,33,36)/t30-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365638
PNG
(US9868748, I-A21 | US9868748, I-A33)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(c(C)n4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H29F3N4O3S2/c1-5-38(35,36)19-9-6-17(7-10-19)12-22(34)31-25-32-23-21(37-25)14-33(24(23)15(2)3)13-18-8-11-20(16(4)30-18)26(27,28)29/h6-11,15,24H,5,12-14H2,1-4H3,(H,31,32,34)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365652
PNG
(US9868748, I-A35)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H30F3N3O3S2/c1-5-38(35,36)21-12-6-18(7-13-21)14-23(34)31-26-32-24-22(37-26)15-33(25(24)16(2)3)17(4)19-8-10-20(11-9-19)27(28,29)30/h6-13,16-17,25H,5,14-15H2,1-4H3,(H,31,32,34)/t17-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365655
PNG
(US9868748, I-A38)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(Cl)cc2F)cc1
Show InChI InChI=1S/C26H29ClFN3O3S2/c1-5-36(33,34)19-9-6-17(7-10-19)12-23(32)29-26-30-24-22(35-26)14-31(25(24)15(2)3)16(4)20-11-8-18(27)13-21(20)28/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,29,30,32)/t16-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365661
PNG
(US9868748, I-A44)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](CC4)C(=O)OC)Cc3s2)cc1
Show InChI InChI=1S/C27H37N3O5S2/c1-5-37(33,34)21-12-8-18(9-13-21)14-23(31)28-27-29-24-22(36-27)16-30(25(24)17(2)3)15-19-6-10-20(11-7-19)26(32)35-4/h8-9,12-13,17,19-20,25H,5-7,10-11,14-16H2,1-4H3,(H,28,29,31)/t19?,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365676
PNG
(US9868748, I-A63)
Show SMILES CCc1ccc(CN2Cc3sc(NC(=O)Cc4ccc(cc4)S(=O)(=O)CC)nc3[C@@H]2C(C)C)cc1
Show InChI InChI=1S/C27H33N3O3S2/c1-5-19-7-9-21(10-8-19)16-30-17-23-25(26(30)18(3)4)29-27(34-23)28-24(31)15-20-11-13-22(14-12-20)35(32,33)6-2/h7-14,18,26H,5-6,15-17H2,1-4H3,(H,28,29,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365677
PNG
(US9868748, I-A64)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(C)cc4)Cc3s2)cc1
Show InChI InChI=1S/C26H31N3O3S2/c1-5-34(31,32)21-12-10-19(11-13-21)14-23(30)27-26-28-24-22(33-26)16-29(25(24)17(2)3)15-20-8-6-18(4)7-9-20/h6-13,17,25H,5,14-16H2,1-4H3,(H,27,28,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365689
PNG
(US9868748, I-B12)
Show SMILES CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12)[C@H](C)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C26H27FN4O3S2/c1-15(2)25-24-22(14-31(25)16(3)18-7-8-19(13-28)21(27)12-18)35-26(30-24)29-23(32)11-17-5-9-20(10-6-17)36(4,33)34/h5-10,12,15-16,25H,11,14H2,1-4H3,(H,29,30,32)/t16-,25+/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365693
PNG
(US9868748, I-B16)
Show SMILES CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12)[C@H](C)c1ccc(cc1C)C#N
Show InChI InChI=1S/C27H30N4O3S2/c1-16(2)26-25-23(15-31(26)18(4)22-11-8-20(14-28)12-17(22)3)35-27(30-25)29-24(32)13-19-6-9-21(10-7-19)36(5,33)34/h6-12,16,18,26H,13,15H2,1-5H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365703
PNG
(US9868748, I-C7)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(cc4)-c4ccn(C)c(=O)c4)Cc3s2)nc1
Show InChI InChI=1S/C30H33N5O4S2/c1-5-41(38,39)24-11-10-23(31-16-24)15-26(36)32-30-33-28-25(40-30)18-35(29(28)19(2)3)17-20-6-8-21(9-7-20)22-12-13-34(4)27(37)14-22/h6-14,16,19,29H,5,15,17-18H2,1-4H3,(H,32,33,36)/t29-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365705
PNG
(US9868748, I-C9)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3s2)nc1
Show InChI InChI=1S/C26H30N8O3S2/c1-5-39(36,37)20-11-10-19(27-13-20)12-22(35)28-26-29-23-21(38-26)15-34(24(23)16(2)3)14-17-6-8-18(9-7-17)25-30-32-33(4)31-25/h6-11,13,16,24H,5,12,14-15H2,1-4H3,(H,28,29,35)/t24-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365709
PNG
(US9868748, I-D2)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(C#N)c(F)c2)Cc2sc(NS(=O)(=O)c3ccc(CC(O)=O)cc3)nc12
Show InChI InChI=1S/C24H23FN4O4S2/c1-14(2)23-22-20(13-29(23)12-16-3-6-17(11-26)19(25)9-16)34-24(27-22)28-35(32,33)18-7-4-15(5-8-18)10-21(30)31/h3-9,14,23H,10,12-13H2,1-2H3,(H,27,28)(H,30,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365723
PNG
(US9868748, I-J6)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(OC(F)F)cc4)Cc3s2)cc1
Show InChI InChI=1S/C26H29F2N3O4S2/c1-4-37(33,34)20-11-7-17(8-12-20)13-29-24(32)25-30-22-21(36-25)15-31(23(22)16(2)3)14-18-5-9-19(10-6-18)35-26(27)28/h5-12,16,23,26H,4,13-15H2,1-3H3,(H,29,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365670
PNG
(US9868748, I-A54)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(OC(F)F)cn4)Cc3s2)cc1
Show InChI InChI=1S/C25H28F2N4O4S2/c1-4-37(33,34)19-9-5-16(6-10-19)11-21(32)29-25-30-22-20(36-25)14-31(23(22)15(2)3)13-17-7-8-18(12-28-17)35-24(26)27/h5-10,12,15,23-24H,4,11,13-14H2,1-3H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365681
PNG
(US9868748, I-B4)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(cn2)C(F)(F)F)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C24H25F3N4O3S2/c1-14(2)22-21-19(13-31(22)12-17-7-6-16(11-28-17)24(25,26)27)35-23(30-21)29-20(32)10-15-4-8-18(9-5-15)36(3,33)34/h4-9,11,14,22H,10,12-13H2,1-3H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365694
PNG
(US9868748, I-B17 | US9868748, I-B18)
Show SMILES CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12)[C@H](C)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H27FN4O3S2/c1-15(2)25-24-22(14-31(25)16(3)20-10-7-18(13-28)11-21(20)27)35-26(30-24)29-23(32)12-17-5-8-19(9-6-17)36(4,33)34/h5-11,15-16,25H,12,14H2,1-4H3,(H,29,30,32)/t16-,25+/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365708
PNG
(US9868748, I-D1)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NS(=O)(=O)c3ccc(CC(O)=O)cc3)nc12
Show InChI InChI=1S/C23H24ClN3O4S2/c1-14(2)22-21-19(13-27(22)12-16-3-7-17(24)8-4-16)32-23(25-21)26-33(30,31)18-9-5-15(6-10-18)11-20(28)29/h3-10,14,22H,11-13H2,1-2H3,(H,25,26)(H,28,29)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365712
PNG
(US9868748, I-F1)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3C(Cc4cccc(Br)c4)N(Cc4ccc(F)cc4)Cc3s2)cc1
Show InChI InChI=1/C29H27BrFN3O3S2/c1-2-39(36,37)24-12-8-19(9-13-24)16-27(35)32-29-33-28-25(15-21-4-3-5-22(30)14-21)34(18-26(28)38-29)17-20-6-10-23(31)11-7-20/h3-14,25H,2,15-18H2,1H3,(H,32,33,35)
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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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365713
PNG
(US9868748, I-G1)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NC(=O)Cc3ccc(cc3)S(=O)(=O)NC3CC3)nc12
Show InChI InChI=1S/C26H29ClN4O3S2/c1-16(2)25-24-22(15-31(25)14-18-3-7-19(27)8-4-18)35-26(29-24)28-23(32)13-17-5-11-21(12-6-17)36(33,34)30-20-9-10-20/h3-8,11-12,16,20,25,30H,9-10,13-15H2,1-2H3,(H,28,29,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365714
PNG
(US9868748, I-H1)
Show SMILES CC[C@H](C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C25H28ClN3O3S2/c1-4-16(2)24-23-21(15-29(24)14-18-5-9-19(26)10-6-18)33-25(28-23)27-22(30)13-17-7-11-20(12-8-17)34(3,31)32/h5-12,16,24H,4,13-15H2,1-3H3,(H,27,28,30)/t16-,24-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365718
PNG
(US9868748, I-J1)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3s2)cc1
Show InChI InChI=1S/C25H28ClN3O3S2/c1-4-34(31,32)20-11-7-17(8-12-20)13-27-24(30)25-28-22-21(33-25)15-29(23(22)16(2)3)14-18-5-9-19(26)10-6-18/h5-12,16,23H,4,13-15H2,1-3H3,(H,27,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365727
PNG
(US9868748, I-L1)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3s2)nc1
Show InChI InChI=1S/C24H27ClN4O3S2/c1-4-34(31,32)19-10-9-18(26-12-19)11-27-23(30)24-28-21-20(33-24)14-29(22(21)15(2)3)13-16-5-7-17(25)8-6-16/h5-10,12,15,22H,4,11,13-14H2,1-3H3,(H,27,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365728
PNG
(US9868748, I-L2)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3s2)nc1
Show InChI InChI=1S/C25H27F3N4O3S2/c1-4-37(34,35)19-10-9-18(29-12-19)11-30-23(33)24-31-21-20(36-24)14-32(22(21)15(2)3)13-16-5-7-17(8-6-16)25(26,27)28/h5-10,12,15,22H,4,11,13-14H2,1-3H3,(H,30,33)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365623
PNG
(US9868748, I-A7)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccccc4)Cc3s2)cc1
Show InChI InChI=1S/C25H29N3O3S2/c1-4-33(30,31)20-12-10-18(11-13-20)14-22(29)26-25-27-23-21(32-25)16-28(24(23)17(2)3)15-19-8-6-5-7-9-19/h5-13,17,24H,4,14-16H2,1-3H3,(H,26,27,29)/t24-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365625
PNG
(US9868748, I-A8)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4cccc(c4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H28F3N3O3S2/c1-4-37(34,35)20-10-8-17(9-11-20)13-22(33)30-25-31-23-21(36-25)15-32(24(23)16(2)3)14-18-6-5-7-19(12-18)26(27,28)29/h5-12,16,24H,4,13-15H2,1-3H3,(H,30,31,33)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365633
PNG
(US9868748, I-A16)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C(=O)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C27H28F3N3O4S2/c1-4-39(36,37)20-11-7-17(8-12-20)13-22(34)31-26-32-23-21(38-26)15-33(24(23)16(2)3)14-18-5-9-19(10-6-18)25(35)27(28,29)30/h5-12,16,24H,4,13-15H2,1-3H3,(H,31,32,34)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365636
PNG
(US9868748, I-A19)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4ccc(=O)n(C)c4)Cc3s2)cc1
Show InChI InChI=1S/C31H34N4O4S2/c1-5-41(38,39)25-13-8-21(9-14-25)16-27(36)32-31-33-29-26(40-31)19-35(30(29)20(2)3)17-22-6-10-23(11-7-22)24-12-15-28(37)34(4)18-24/h6-15,18,20,30H,5,16-17,19H2,1-4H3,(H,32,33,36)/t30-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365638
PNG
(US9868748, I-A21 | US9868748, I-A33)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(c(C)n4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C26H29F3N4O3S2/c1-5-38(35,36)19-9-6-17(7-10-19)12-22(34)31-25-32-23-21(37-25)14-33(24(23)15(2)3)13-18-8-11-20(16(4)30-18)26(27,28)29/h6-11,15,24H,5,12-14H2,1-4H3,(H,31,32,34)/t24-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365643
PNG
(US9868748, I-A26)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(CC4CC[C@@H](OC4)C(F)(F)F)Cc3s2)cc1
Show InChI InChI=1S/C25H32F3N3O4S2/c1-4-37(33,34)18-8-5-16(6-9-18)11-21(32)29-24-30-22-19(36-24)13-31(23(22)15(2)3)12-17-7-10-20(35-14-17)25(26,27)28/h5-6,8-9,15,17,20,23H,4,7,10-14H2,1-3H3,(H,29,30,32)/t17?,20-,23+/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365653
PNG
(US9868748, I-A36)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@H](C)c2ccc(cc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C27H29F4N3O3S2/c1-5-39(36,37)19-9-6-17(7-10-19)12-23(35)32-26-33-24-22(38-26)14-34(25(24)15(2)3)16(4)20-11-8-18(13-21(20)28)27(29,30)31/h6-11,13,15-16,25H,5,12,14H2,1-4H3,(H,32,33,35)/t16-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365663
PNG
(US9868748, I-A46)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ncc(cc4F)C#N)Cc3s2)cc1
Show InChI InChI=1S/C25H26FN5O3S2/c1-4-36(33,34)18-7-5-16(6-8-18)10-22(32)29-25-30-23-21(35-25)14-31(24(23)15(2)3)13-20-19(26)9-17(11-27)12-28-20/h5-9,12,15,24H,4,10,13-14H2,1-3H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365668
PNG
(US9868748, I-A51)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc3s2)[C@@H](C)c2ccc(C#N)c(OC)n2)cc1
Show InChI InChI=1S/C27H31N5O4S2/c1-6-38(34,35)20-10-7-18(8-11-20)13-23(33)30-27-31-24-22(37-27)15-32(25(24)16(2)3)17(4)21-12-9-19(14-28)26(29-21)36-5/h7-12,16-17,25H,6,13,15H2,1-5H3,(H,30,31,33)/t17-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365672
PNG
(US9868748, I-A59)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(cc4)C4CC4)Cc3s2)cc1
Show InChI InChI=1S/C28H33N3O3S2/c1-4-36(33,34)23-13-7-19(8-14-23)15-25(32)29-28-30-26-24(35-28)17-31(27(26)18(2)3)16-20-5-9-21(10-6-20)22-11-12-22/h5-10,13-14,18,22,27H,4,11-12,15-17H2,1-3H3,(H,29,30,32)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365684
PNG
(US9868748, I-B7)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(C#N)c(C)n2)Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C25H27N5O3S2/c1-15(2)24-23-21(14-30(24)13-19-8-7-18(12-26)16(3)27-19)34-25(29-23)28-22(31)11-17-5-9-20(10-6-17)35(4,32)33/h5-10,15,24H,11,13-14H2,1-4H3,(H,28,29,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365694
PNG
(US9868748, I-B17 | US9868748, I-B18)
Show SMILES CC(C)[C@@H]1N(Cc2sc(NC(=O)Cc3ccc(cc3)S(C)(=O)=O)nc12)[C@H](C)c1ccc(cc1F)C#N
Show InChI InChI=1S/C26H27FN4O3S2/c1-15(2)25-24-22(14-31(25)16(3)20-10-7-18(13-28)11-21(20)27)35-26(30-24)29-23(32)12-17-5-8-19(9-6-17)36(4,33)34/h5-11,15-16,25H,12,14H2,1-4H3,(H,29,30,32)/t16-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365697
PNG
(US9868748, I-C1)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@H](C(C)C)N(Cc4ccc(Cl)cc4)Cc3s2)nc1
Show InChI InChI=1S/C24H27ClN4O3S2/c1-4-34(31,32)19-10-9-18(26-12-19)11-21(30)27-24-28-22-20(33-24)14-29(23(22)15(2)3)13-16-5-7-17(25)8-6-16/h5-10,12,15,23H,4,11,13-14H2,1-3H3,(H,27,28,30)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365700
PNG
(US9868748, I-C4)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3s2)nc1
Show InChI InChI=1S/C25H27F3N4O3S2/c1-4-37(34,35)19-10-9-18(29-12-19)11-21(33)30-24-31-22-20(36-24)14-32(23(22)15(2)3)13-16-5-7-17(8-6-16)25(26,27)28/h5-10,12,15,23H,4,11,13-14H2,1-3H3,(H,30,31,33)/t23-/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365702
PNG
(US9868748, I-C6)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(C[C@H]4CC[C@](C)(CC4)OC)Cc3s2)nc1
Show InChI InChI=1S/C26H38N4O4S2/c1-6-36(32,33)20-8-7-19(27-14-20)13-22(31)28-25-29-23-21(35-25)16-30(24(23)17(2)3)15-18-9-11-26(4,34-5)12-10-18/h7-8,14,17-18,24H,6,9-13,15-16H2,1-5H3,(H,28,29,31)/t18-,24-,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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365707
PNG
(US9868748, I-C11)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3[C@@H](C(C)C)N(Cc4ccc(cc4)C#N)Cc3s2)nc1
Show InChI InChI=1S/C25H27N5O3S2/c1-4-35(32,33)20-10-9-19(27-13-20)11-22(31)28-25-29-23-21(34-25)15-30(24(23)16(2)3)14-18-7-5-17(12-26)6-8-18/h5-10,13,16,24H,4,11,14-15H2,1-3H3,(H,28,29,31)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365720
PNG
(US9868748, I-J3)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2nc3[C@H](C(C)C)N(Cc4ccc(cc4)-c4nnn(C)n4)Cc3s2)cc1
Show InChI InChI=1S/C27H31N7O3S2/c1-5-39(36,37)21-12-8-18(9-13-21)14-28-26(35)27-29-23-22(38-27)16-34(24(23)17(2)3)15-19-6-10-20(11-7-19)25-30-32-33(4)31-25/h6-13,17,24H,5,14-16H2,1-4H3,(H,28,35)/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 US9868748 (2018)

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


(Homo sapiens (Human))
BDBM365710
PNG
(US9868748, I-D3)
Show SMILES CC(C)[C@@H]1N(Cc2ccc(Cl)cc2)Cc2sc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)nc12
Show InChI InChI=1S/C22H21ClF3N3O2S2/c1-13(2)20-19-18(12-29(20)11-14-6-8-16(23)9-7-14)32-21(27-19)28-33(30,31)17-5-3-4-15(10-17)22(24,25)26/h3-10,13,20H,11-12H2,1-2H3,(H,27,28)/t20-/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 US9868748 (2018)

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