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Patent code US10399976

Compile Data Set for Download or QSAR

Found 220 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317881
PNG
(US10399976, Compound 34 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317991
PNG
(US10399976, Compound 144 | US10807980, Compound 14...)
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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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317904
PNG
(US10399976, Compound 57 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317906
PNG
(US10399976, Compound 59 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM412797
PNG
(US10399976, Compound 133)
Show SMILES CCS(=O)(=O)n1cc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)cn1
Show InChI InChI=1S/C25H28F3N5O3S/c1-4-37(35,36)33-14-18(11-31-33)10-30-24(34)19-9-20-15-32(23(16(2)3)22(20)29-12-19)13-17-5-7-21(8-6-17)25(26,27)28/h5-9,11-12,14,16,23H,4,10,13,15H2,1-3H3,(H,30,34)/t23-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317989
PNG
(US10399976, Compound 142 | US10807980, Compound 14...)
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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM412666
PNG
((S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-is...)
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-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM412670
PNG
((S)-N-(4-(ethylsulfonyl)benzyl)-7-isopropyl-6-(4-(...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4nccc(n4)C(F)(F)F)Cc3c2)nc1
Show InChI InChI=1S/C25H27F3N6O3S/c1-4-38(36,37)19-6-5-18(30-12-19)11-32-24(35)16-9-17-13-34(23(15(2)3)22(17)31-10-16)14-21-29-8-7-20(33-21)25(26,27)28/h5-10,12,15,23H,4,11,13-14H2,1-3H3,(H,32,35)/t23-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317871
PNG
(US10399976, Compound 24 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317874
PNG
(US10399976, Compound 27 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317885
PNG
(US10399976, Compound 38 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317996
PNG
(US10399976, Compound 149 | US10807980, Compound 14...)
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
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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317854
PNG
(US10399976, Compound 7 | US10807980, 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
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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317857
PNG
(US10399976, Compound 10 | 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM412679
PNG
(US10399976, Compound 15)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(Cc3c2)C(=O)OC(F)(F)F)nc1
Show InChI InChI=1S/C21H23F3N4O5S/c1-4-34(31,32)16-6-5-15(25-10-16)9-27-19(29)13-7-14-11-28(20(30)33-21(22,23)24)18(12(2)3)17(14)26-8-13/h5-8,10,12,18H,4,9,11H2,1-3H3,(H,27,29)/t18-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317882
PNG
(US10399976, Compound 35 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM318006
PNG
(US10399976, Compound 159 | US10807980, Compound 15...)
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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317877
PNG
(US10399976, Compound 30 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317879
PNG
(US10399976, Compound 32 | US10807980, 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
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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317891
PNG
(US10399976, Compound 44 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317896
PNG
(US10399976, Compound 49 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317905
PNG
(US10399976, Compound 58 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317911
PNG
(US10399976, Compound 64 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317880
PNG
(US10399976, Compound 33 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317850
PNG
(US10399976, Compound 3 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317881
PNG
(US10399976, Compound 34 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317869
PNG
(US10399976, Compound 22 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317872
PNG
(US10399976, Compound 25 | US10807980, 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
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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317894
PNG
(US10399976, Compound 47 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317903
PNG
(US10399976, Compound 56 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317956
PNG
(US10399976, Compound 109 | US10807980, Compound 10...)
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
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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317986
PNG
(US10399976, Compound 139 | US10807980, Compound 13...)
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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317988
PNG
(US10399976, Compound 141 | US10807980, Compound 14...)
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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317878
PNG
(US10399976, Compound 31 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(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
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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317902
PNG
(US10399976, Compound 55 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317910
PNG
(US10399976, Compound 63 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317914
PNG
(US10399976, Compound 67 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317990
PNG
(US10399976, Compound 143 | US10807980, Compound 14...)
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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317851
PNG
(US10399976, Compound 4 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317855
PNG
(US10399976, Compound 8 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317876
PNG
(US10399976, Compound 29 | US10807980, 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
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317889
PNG
(US10399976, Compound 42 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317890
PNG
(US10399976, Compound 43 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317892
PNG
(US10399976, Compound 45 | US10807980, 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
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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317852
PNG
(US10399976, Compound 5 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317864
PNG
(US10399976, Compound 17 | US10807980, 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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Vitae Pharmaceuticals, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM317875
PNG
(US10399976, Compound 28 | US10807980, 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, LLC

US Patent


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


US Patent US10399976 (2019)


BindingDB Entry DOI: 10.7270/Q2F76FXT
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%