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Patent code US10301261

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


()
BDBM416475
PNG
(1-cyclopropyl-N-((5-(ethylsulfoyl)pyridin-2-yl)met...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)nc1
Show InChI InChI=1S/C27H31F3N4O3S/c1-2-38(36,37)22-11-8-20(31-16-22)15-32-26(35)18-5-12-24-23(14-18)33-25(34(24)21-9-10-21)13-17-3-6-19(7-4-17)27(28,29)30/h5,8,11-12,14,16-17,19,21H,2-4,6-7,9-10,13,15H2,1H3,(H,32,35)/t17-,19-
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416481
PNG
(1-cyclopropyl-N-((R)-2-hydroxy-1-(4-(methylsulfony...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(C[C@H]3CC[C@@H](CC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C28H32F3N3O4S/c1-39(37,38)22-11-4-18(5-12-22)24(16-35)33-27(36)19-6-13-25-23(15-19)32-26(34(25)21-9-10-21)14-17-2-7-20(8-3-17)28(29,30)31/h4-6,11-13,15,17,20-21,24,35H,2-3,7-10,14,16H2,1H3,(H,33,36)/t17-,20-,24-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416484
PNG
(1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(trifluor...)
Show SMILES CCn1c(Cc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C27H26F3N3O3S/c1-3-33-24-14-9-20(26(34)31-17-19-7-12-22(13-8-19)37(35,36)4-2)16-23(24)32-25(33)15-18-5-10-21(11-6-18)27(28,29)30/h5-14,16H,3-4,15,17H2,1-2H3,(H,31,34)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416486
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-(2,2,2-trifluoroethy...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(F)(F)F)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C27H23F6N3O3S/c1-2-40(38,39)21-10-5-18(6-11-21)15-34-25(37)19-7-12-23-22(14-19)35-24(36(23)16-26(28,29)30)13-17-3-8-20(9-4-17)27(31,32)33/h3-12,14H,2,13,15-16H2,1H3,(H,34,37)
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416503
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-((4-(trif...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(CN4CCC(CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C28H35F3N4O3S/c1-4-39(37,38)23-8-5-20(6-9-23)16-32-27(36)21-7-10-25-24(15-21)33-26(35(25)17-19(2)3)18-34-13-11-22(12-14-34)28(29,30)31/h5-10,15,19,22H,4,11-14,16-18H2,1-3H3,(H,32,36)
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416505
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(1-(4-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(nc3c2)C(C)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H28F3N3O3S/c1-3-39(37,38)24-13-4-19(5-14-24)17-33-28(36)21-8-15-26-25(16-21)34-27(35(26)23-11-12-23)18(2)20-6-9-22(10-7-20)29(30,31)32/h4-10,13-16,18,23H,3,11-12,17H2,1-2H3,(H,33,36)
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416518
PNG
((R)-1-cyclopropyl-N-(1-(4-(ethylsulfonyl)phenyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(nc2c1)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H26F3N3O5S/c1-2-41(39,40)22-12-5-17(6-13-22)24(16-36)34-28(38)19-7-14-25-23(15-19)33-27(35(25)21-10-11-21)26(37)18-3-8-20(9-4-18)29(30,31)32/h3-9,12-15,21,24,36H,2,10-11,16H2,1H3,(H,34,38)/t24-/m0/s1
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Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416528
PNG
((R)-1-cyclopropyl-N-(1-(5-(ethylsulfonyl)pyridin-2...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(Oc3ccc(cc3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C27H25F3N4O5S/c1-2-40(37,38)20-10-11-21(31-14-20)23(15-35)32-25(36)16-3-12-24-22(13-16)33-26(34(24)18-6-7-18)39-19-8-4-17(5-9-19)27(28,29)30/h3-5,8-14,18,23,35H,2,6-7,15H2,1H3,(H,32,36)/t23-/m0/s1
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416424
PNG
((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydro...)
Show SMILES CCn1c(CN2CCC(CC2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H34F3N3O4S/c1-3-34-23(17-33-13-11-22(12-14-33)28(29,30)31)16-21-15-20(7-10-26(21)34)27(36)32-25(18-35)19-5-8-24(9-6-19)39(37,38)4-2/h5-10,15-16,22,25,35H,3-4,11-14,17-18H2,1-2H3,(H,32,36)/t25-/m0/s1
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416463
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C28H32F3N3O3S/c1-2-38(36,37)23-12-5-19(6-13-23)17-32-27(35)20-7-14-25-24(16-20)33-26(34(25)22-10-11-22)15-18-3-8-21(9-4-18)28(29,30)31/h5-7,12-14,16,18,21-22H,2-4,8-11,15,17H2,1H3,(H,32,35)/t18-,21-
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416463
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C28H32F3N3O3S/c1-2-38(36,37)23-12-5-19(6-13-23)17-32-27(35)20-7-14-25-24(16-20)33-26(34(25)22-10-11-22)15-18-3-8-21(9-4-18)28(29,30)31/h5-7,12-14,16,18,21-22H,2-4,8-11,15,17H2,1H3,(H,32,35)/t18-,21-
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416465
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1r,4r)...)
Show SMILES CCC(C)n1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C29H36F3N3O3S/c1-4-19(3)35-26-15-10-22(28(36)33-18-21-8-13-24(14-9-21)39(37,38)5-2)17-25(26)34-27(35)16-20-6-11-23(12-7-20)29(30,31)32/h8-10,13-15,17,19-20,23H,4-7,11-12,16,18H2,1-3H3,(H,33,36)/t19?,20-,23-
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416466
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1r,4r)...)
Show SMILES CCC(C)n1c(C[C@H]2CC[C@H](CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C29H36F3N3O3S/c1-4-19(3)35-26-15-10-22(28(36)33-18-21-8-13-24(14-9-21)39(37,38)5-2)17-25(26)34-27(35)16-20-6-11-23(12-7-20)29(30,31)32/h8-10,13-15,17,19-20,23H,4-7,11-12,16,18H2,1-3H3,(H,33,36)/t19?,20-,23+
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416468
PNG
(1-cyclopropyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(C[C@H]3CC[C@@H](CC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C29H34F3N3O4S/c1-2-40(38,39)23-12-5-19(6-13-23)25(17-36)34-28(37)20-7-14-26-24(16-20)33-27(35(26)22-10-11-22)15-18-3-8-21(9-4-18)29(30,31)32/h5-7,12-14,16,18,21-22,25,36H,2-4,8-11,15,17H2,1H3,(H,34,37)/t18-,21-,25-/m0/s1
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416493
PNG
(US10301261, Compound BE-44 | US10301261, Compound ...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1ccc2n(CC(C)C)c(Cc3ccc(cc3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C30H32F3N3O3S/c1-5-40(38,39)25-13-8-22(9-14-25)20(4)34-29(37)23-10-15-27-26(17-23)35-28(36(27)18-19(2)3)16-21-6-11-24(12-7-21)30(31,32)33/h6-15,17,19-20H,5,16,18H2,1-4H3,(H,34,37)/t20-/m1/s1
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Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416495
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)OC)nc3c2)cc1
Show InChI InChI=1S/C28H35N3O4S/c1-3-36(33,34)24-13-6-20(7-14-24)18-29-28(32)21-8-15-26-25(17-21)30-27(31(26)22-9-10-22)16-19-4-11-23(35-2)12-5-19/h6-8,13-15,17,19,22-23H,3-5,9-12,16,18H2,1-2H3,(H,29,32)/t19-,23-
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US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416498
PNG
(1-cyclopropyl-2-(4-(difluoromethoxy)benzyl)-N-(4-(...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(Cc4ccc(OC(F)F)cc4)nc3c2)cc1
Show InChI InChI=1S/C28H27F2N3O4S/c1-2-38(35,36)23-12-5-19(6-13-23)17-31-27(34)20-7-14-25-24(16-20)32-26(33(25)21-8-9-21)15-18-3-10-22(11-4-18)37-28(29)30/h3-7,10-14,16,21,28H,2,8-9,15,17H2,1H3,(H,31,34)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416427
PNG
((R)-1-cyclopropyl-N-(1-(4-(ethylsulfonyl)phenyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(CN3CCC(CC3)C(F)(F)F)cc2c1
Show InChI InChI=1S/C29H34F3N3O4S/c1-2-40(38,39)25-8-3-19(4-9-25)26(18-36)33-28(37)20-5-10-27-21(15-20)16-24(35(27)23-6-7-23)17-34-13-11-22(12-14-34)29(30,31)32/h3-5,8-10,15-16,22-23,26,36H,2,6-7,11-14,17-18H2,1H3,(H,33,37)/t26-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416428
PNG
(1-ethyl-N-((R)-1-(5-(ethylsulfonyl)pyridin-2-yl)-2...)
Show SMILES CCn1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C28H34F3N3O4S/c1-3-34-22(13-18-5-8-21(9-6-18)28(29,30)31)15-20-14-19(7-12-26(20)34)27(36)33-25(17-35)24-11-10-23(16-32-24)39(37,38)4-2/h7,10-12,14-16,18,21,25,35H,3-6,8-9,13,17H2,1-2H3,(H,33,36)/t18-,21-,25-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416434
PNG
(1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-...)
Show SMILES CCn1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)cc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H33F3N2O3S/c1-3-33-24(15-19-5-10-23(11-6-19)28(29,30)31)17-22-16-21(9-14-26(22)33)27(34)32-18-20-7-12-25(13-8-20)37(35,36)4-2/h7-9,12-14,16-17,19,23H,3-6,10-11,15,18H2,1-2H3,(H,32,34)/t19-,23-
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416437
PNG
((R)-1-cyclopropyl-N-(1-(5-(ethylsulfonyl)pyridin-2...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(Cc3ccc(cc3)C(F)(F)F)cc2c1
Show InChI InChI=1S/C29H28F3N3O4S/c1-2-40(38,39)24-10-11-25(33-16-24)26(17-36)34-28(37)19-5-12-27-20(14-19)15-23(35(27)22-8-9-22)13-18-3-6-21(7-4-18)29(30,31)32/h3-7,10-12,14-16,22,26,36H,2,8-9,13,17H2,1H3,(H,34,37)/t26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416439
PNG
((R)-2-(4-cyanobenzyl)-1-ethyl-N-(1-(5-(ethylsulfon...)
Show SMILES CCn1c(Cc2ccc(cc2)C#N)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C28H28N4O4S/c1-3-32-23(13-19-5-7-20(16-29)8-6-19)15-22-14-21(9-12-27(22)32)28(34)31-26(18-33)25-11-10-24(17-30-25)37(35,36)4-2/h5-12,14-15,17,26,33H,3-4,13,18H2,1-2H3,(H,31,34)/t26-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416445
PNG
(1-cyclopropyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(O[C@H]3CC[C@H](CC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C28H32F3N3O5S/c1-2-40(37,38)22-12-3-17(4-13-22)24(16-35)32-26(36)18-5-14-25-23(15-18)33-27(34(25)20-8-9-20)39-21-10-6-19(7-11-21)28(29,30)31/h3-5,12-15,19-21,24,35H,2,6-11,16H2,1H3,(H,32,36)/t19-,21+,24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416451
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(tr...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(Oc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C27H24F3N3O4S/c1-2-38(35,36)22-12-3-17(4-13-22)16-31-25(34)18-5-14-24-23(15-18)32-26(33(24)20-8-9-20)37-21-10-6-19(7-11-21)27(28,29)30/h3-7,10-15,20H,2,8-9,16H2,1H3,(H,31,34)
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416454
PNG
((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydro...)
Show SMILES CCn1c(Oc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C27H26F3N3O6S/c1-3-33-24-14-7-18(25(35)31-23(16-34)17-5-12-21(13-6-17)40(36,37)4-2)15-22(24)32-26(33)38-19-8-10-20(11-9-19)39-27(28,29)30/h5-15,23,34H,3-4,16H2,1-2H3,(H,31,35)/t23-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416479
PNG
(1-cyclopropyl-N-(4-(methylsulfonyl)benzyl)-2-(((1r...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C27H30F3N3O3S/c1-37(35,36)22-11-4-18(5-12-22)16-31-26(34)19-6-13-24-23(15-19)32-25(33(24)21-9-10-21)14-17-2-7-20(8-3-17)27(28,29)30/h4-6,11-13,15,17,20-21H,2-3,7-10,14,16H2,1H3,(H,31,34)/t17-,20-
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416420
PNG
((R)-2-(4-(difluoromethoxy)benzyl)-1-ethyl-N-(1-(5-...)
Show SMILES CCn1c(Cc2ccc(OC(F)F)cc2)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C28H29F2N3O5S/c1-3-33-21(13-18-5-8-22(9-6-18)38-28(29)30)15-20-14-19(7-12-26(20)33)27(35)32-25(17-34)24-11-10-23(16-31-24)39(36,37)4-2/h5-12,14-16,25,28,34H,3-4,13,17H2,1-2H3,(H,32,35)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416426
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-((4-(t...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(CN4CCC(CC4)C(F)(F)F)cc3c2)cc1
Show InChI InChI=1S/C28H32F3N3O3S/c1-2-38(36,37)25-8-3-19(4-9-25)17-32-27(35)20-5-10-26-21(15-20)16-24(34(26)23-6-7-23)18-33-13-11-22(12-14-33)28(29,30)31/h3-5,8-10,15-16,22-23H,2,6-7,11-14,17-18H2,1H3,(H,32,35)
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416430
PNG
(1-ethyl-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-...)
Show SMILES CCn1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)cc2cc(ccc12)C(=O)NCc1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C27H32F3N3O3S/c1-3-33-23(13-18-5-8-21(9-6-18)27(28,29)30)15-20-14-19(7-12-25(20)33)26(34)32-16-22-10-11-24(17-31-22)37(35,36)4-2/h7,10-12,14-15,17-18,21H,3-6,8-9,13,16H2,1-2H3,(H,32,34)/t18-,21-
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416434
PNG
(1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-...)
Show SMILES CCn1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)cc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H33F3N2O3S/c1-3-33-24(15-19-5-10-23(11-6-19)28(29,30)31)17-22-16-21(9-14-26(22)33)27(34)32-18-20-7-12-25(13-8-20)37(35,36)4-2/h7-9,12-14,16-17,19,23H,3-6,10-11,15,18H2,1-2H3,(H,32,34)/t19-,23-
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416449
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1r,4r)...)
Show SMILES CCC(C)n1c(O[C@H]2CC[C@H](CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H34F3N3O4S/c1-4-18(3)34-25-15-8-20(26(35)32-17-19-6-13-23(14-7-19)39(36,37)5-2)16-24(25)33-27(34)38-22-11-9-21(10-12-22)28(29,30)31/h6-8,13-16,18,21-22H,4-5,9-12,17H2,1-3H3,(H,32,35)/t18?,21-,22+
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416452
PNG
((R)-1-cyclopropyl-N-(1-(4-(ethylsulfonyl)phenyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(Oc3ccc(cc3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C28H26F3N3O5S/c1-2-40(37,38)22-12-3-17(4-13-22)24(16-35)32-26(36)18-5-14-25-23(15-18)33-27(34(25)20-8-9-20)39-21-10-6-19(7-11-21)28(29,30)31/h3-7,10-15,20,24,35H,2,8-9,16H2,1H3,(H,32,36)/t24-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416453
PNG
((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydro...)
Show SMILES CCn1c(Oc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C27H26F3N3O5S/c1-3-33-24-14-7-18(15-22(24)32-26(33)38-20-10-8-19(9-11-20)27(28,29)30)25(35)31-23(16-34)17-5-12-21(13-6-17)39(36,37)4-2/h5-15,23,34H,3-4,16H2,1-2H3,(H,31,35)/t23-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416460
PNG
((R)-1-cyclopropyl-N-(1-(4-(ethylsulfonyl)phenyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(OCc3ccc(cc3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C29H28F3N3O5S/c1-2-41(38,39)23-12-5-19(6-13-23)25(16-36)33-27(37)20-7-14-26-24(15-20)34-28(35(26)22-10-11-22)40-17-18-3-8-21(9-4-18)29(30,31)32/h3-9,12-15,22,25,36H,2,10-11,16-17H2,1H3,(H,33,37)/t25-/m0/s1
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416477
PNG
(1-cyclopropyl-N-((R)-1-(5-(ethylsulfonyl)pyridin-2...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(C[C@H]3CC[C@@H](CC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C28H33F3N4O4S/c1-2-40(38,39)21-10-11-22(32-15-21)24(16-36)34-27(37)18-5-12-25-23(14-18)33-26(35(25)20-8-9-20)13-17-3-6-19(7-4-17)28(29,30)31/h5,10-12,14-15,17,19-20,24,36H,2-4,6-9,13,16H2,1H3,(H,34,37)/t17-,19-,24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416482
PNG
(1-cyclopropyl-N-(4-(N-methylsulfamoyl)benzyl)-2-((...)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C27H31F3N4O3S/c1-31-38(36,37)22-11-4-18(5-12-22)16-32-26(35)19-6-13-24-23(15-19)33-25(34(24)21-9-10-21)14-17-2-7-20(8-3-17)27(28,29)30/h4-6,11-13,15,17,20-21,31H,2-3,7-10,14,16H2,1H3,(H,32,35)/t17-,20-
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416487
PNG
(1-cyclobutyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(tri...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CCC4)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C29H28F3N3O3S/c1-2-39(37,38)24-13-8-20(9-14-24)18-33-28(36)21-10-15-26-25(17-21)34-27(35(26)23-4-3-5-23)16-19-6-11-22(12-7-19)29(30,31)32/h6-15,17,23H,2-5,16,18H2,1H3,(H,33,36)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416492
PNG
(N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-isobut...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)nc1
Show InChI InChI=1S/C28H29F3N4O3S/c1-4-39(37,38)23-11-10-22(32-16-23)15-33-27(36)20-7-12-25-24(14-20)34-26(35(25)17-18(2)3)13-19-5-8-21(9-6-19)28(29,30)31/h5-12,14,16,18H,4,13,15,17H2,1-3H3,(H,33,36)
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416499
PNG
(US10301261, Compound BE-49 | US10829448, Compound ...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(CC4CCN(CC4)C(=O)OC(C)(C)C)nc3c2)cc1
Show InChI InChI=1S/C31H40N4O5S/c1-5-41(38,39)25-11-6-22(7-12-25)20-32-29(36)23-8-13-27-26(19-23)33-28(35(27)24-9-10-24)18-21-14-16-34(17-15-21)30(37)40-31(2,3)4/h6-8,11-13,19,21,24H,5,9-10,14-18,20H2,1-4H3,(H,32,36)
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416524
PNG
((R)-2-(1-cyclopropyl-2-(((1r,4R)-4-(trifluoromethy...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC(N)=O)NC(=O)c1ccc2n(C3CC3)c(C[C@H]3CC[C@@H](CC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C30H35F3N4O5S/c1-2-43(40,41)23-12-5-19(6-13-23)25(17-42-29(34)39)36-28(38)20-7-14-26-24(16-20)35-27(37(26)22-10-11-22)15-18-3-8-21(9-4-18)30(31,32)33/h5-7,12-14,16,18,21-22,25H,2-4,8-11,15,17H2,1H3,(H2,34,39)(H,36,38)/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 described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416423
PNG
((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydro...)
Show SMILES CCn1c(Cc2ccc(cn2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H28F3N3O4S/c1-3-34-23(15-22-9-8-21(16-32-22)28(29,30)31)14-20-13-19(7-12-26(20)34)27(36)33-25(17-35)18-5-10-24(11-6-18)39(37,38)4-2/h5-14,16,25,35H,3-4,15,17H2,1-2H3,(H,33,36)/t25-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416425
PNG
((R)-1-ethyl-N-(1-(5-(ethylsulfonyl)pyridin-2-yl)-2...)
Show SMILES CCn1c(CN2CCC(CC2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C27H33F3N4O4S/c1-3-34-21(16-33-11-9-20(10-12-33)27(28,29)30)14-19-13-18(5-8-25(19)34)26(36)32-24(17-35)23-7-6-22(15-31-23)39(37,38)4-2/h5-8,13-15,20,24,35H,3-4,9-12,16-17H2,1-2H3,(H,32,36)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416440
PNG
((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydro...)
Show SMILES CCn1c(cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC)C(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C27H25F3N4O5S/c1-3-34-23-10-5-16(26(37)33-22(15-35)20-9-7-19(14-32-20)40(38,39)4-2)11-17(23)12-24(34)25(36)21-8-6-18(13-31-21)27(28,29)30/h5-14,22,35H,3-4,15H2,1-2H3,(H,33,37)/t22-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416444
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-(2-methylallyl)-2-(4...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3n(CC(C)=C)c(Cc4ccc(cc4)C(F)(F)F)cc3c2)cc1
Show InChI InChI=1S/C29H28F3N3O3S/c1-4-39(37,38)26-11-7-21(8-12-26)16-34-28(36)23-14-22-15-25(35(18-19(2)3)27(22)33-17-23)13-20-5-9-24(10-6-20)29(30,31)32/h5-12,14-15,17H,2,4,13,16,18H2,1,3H3,(H,34,36)
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416458
PNG
((R)-2-((3,3-difluorocyclobutyl)methoxy)-1-ethyl-N-...)
Show SMILES CCn1c(OCC2CC(F)(F)C2)nc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C25H29F2N3O5S/c1-3-30-22-10-7-18(11-20(22)29-24(30)35-15-16-12-25(26,27)13-16)23(32)28-21(14-31)17-5-8-19(9-6-17)36(33,34)4-2/h5-11,16,21,31H,3-4,12-15H2,1-2H3,(H,28,32)/t21-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416461
PNG
((R)-1-cyclopropyl-2-((4,4-difluorocyclohexyl)metho...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(OCC3CCC(F)(F)CC3)nc2c1
Show InChI InChI=1S/C28H33F2N3O5S/c1-2-39(36,37)22-8-3-19(4-9-22)24(16-34)31-26(35)20-5-10-25-23(15-20)32-27(33(25)21-6-7-21)38-17-18-11-13-28(29,30)14-12-18/h3-5,8-10,15,18,21,24,34H,2,6-7,11-14,16-17H2,1H3,(H,31,35)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416473
PNG
(N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-isobut...)
Show SMILES CCC(C)n1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(nc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H35F3N4O3S/c1-4-18(3)35-24-12-9-21(27(36)33-17-20-8-13-26(32-16-20)39(37,38)5-2)15-23(24)34-25(35)14-19-6-10-22(11-7-19)28(29,30)31/h8-9,12-13,15-16,18-19,22H,4-7,10-11,14,17H2,1-3H3,(H,33,36)/t18?,19-,22-
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Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416504
PNG
((R)-1-cyclopropyl-N-(1-(4-(ethylsulfonyl)phenyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(CN3CCC(CC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C28H33F3N4O4S/c1-2-40(38,39)22-8-3-18(4-9-22)24(17-36)33-27(37)19-5-10-25-23(15-19)32-26(35(25)21-6-7-21)16-34-13-11-20(12-14-34)28(29,30)31/h3-5,8-10,15,20-21,24,36H,2,6-7,11-14,16-17H2,1H3,(H,33,37)/t24-/m0/s1
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416522
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(tr...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(nc3c2)C(=O)C2CCC(CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H30F3N3O4S/c1-2-39(37,38)22-12-3-17(4-13-22)16-32-27(36)19-7-14-24-23(15-19)33-26(34(24)21-10-11-21)25(35)18-5-8-20(9-6-18)28(29,30)31/h3-4,7,12-15,18,20-21H,2,5-6,8-11,16H2,1H3,(H,32,36)
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


()
BDBM416526
PNG
(2-(4-(ethylsulfonyl)phenyl)-N-(1-isobutyl-2-(4-(tr...)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(CC(C)C)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C29H30F3N3O3S/c1-4-39(37,38)24-12-7-21(8-13-24)16-28(36)33-23-11-14-26-25(17-23)34-27(35(26)18-19(2)3)15-20-5-9-22(10-6-20)29(30,31)32/h5-14,17,19H,4,15-16,18H2,1-3H3,(H,33,36)
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<100n/an/an/an/an/an/an/an/a



Vitae Pharmaceuticals, LLC

US Patent


Assay Description
Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


US Patent US10301261 (2019)


BindingDB Entry DOI: 10.7270/Q2CZ39H8
More data for this
Ligand-Target Pair
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