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Patent code US10829448

Compile Data Set for Download or QSAR
Found 121 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))
BDBM416436
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(tr...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(Cc4ccc(cc4)C(F)(F)F)cc3c2)cc1
Show InChI InChI=1S/C29H27F3N2O3S/c1-2-38(36,37)26-12-5-20(6-13-26)18-33-28(35)21-7-14-27-22(16-21)17-25(34(27)24-10-11-24)15-19-3-8-23(9-4-19)29(30,31)32/h3-9,12-14,16-17,24H,2,10-11,15,18H2,1H3,(H,33,35)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416419
PNG
(US10301261, Compound IN-5 | US10829448, Compound I...)
Show SMILES CCn1c(Cc2ccc3OC(F)(F)Oc3c2)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C28H27F2N3O6S/c1-3-33-20(11-17-5-10-25-26(12-17)39-28(29,30)38-25)14-19-13-18(6-9-24(19)33)27(35)32-23(16-34)22-8-7-21(15-31-22)40(36,37)4-2/h5-10,12-15,23,34H,3-4,11,16H2,1-2H3,(H,32,35)/t23-/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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416456
PNG
((R)-N-(2-amino-1-(4-(ethylsulfonyl)phenyl)ethyl)-1...)
Show SMILES CCn1c(Oc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)C(=O)N[C@@H](CN)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C27H27F3N4O4S/c1-3-34-24-14-7-18(15-22(24)33-26(34)38-20-10-8-19(9-11-20)27(28,29)30)25(35)32-23(16-31)17-5-12-21(13-6-17)39(36,37)4-2/h5-15,23H,3-4,16,31H2,1-2H3,(H,32,35)/t23-/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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471802
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1r,4r)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(CC4CCC(CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C29H36F3N3O3S/c1-4-39(37,38)24-12-7-21(8-13-24)17-33-28(36)22-9-14-26-25(16-22)34-27(35(26)18-19(2)3)15-20-5-10-23(11-6-20)29(30,31)32/h7-9,12-14,16,19-20,23H,4-6,10-11,15,17-18H2,1-3H3,(H,33,36)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416485
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(tr...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C28H26F3N3O3S/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/h3-9,12-14,16,22H,2,10-11,15,17H2,1H3,(H,32,35)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471781
PNG
(1-cyclopropyl-N-((R)-1-(4- (ethylsulfonyl)phenyl)-...)
Show SMILES FC(F)(F)C1CCC(CC1)OC(=O)c1ccc2n(C3CC3)c(OC3CCC(CC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C25H28F6N2O3/c26-24(27,28)15-2-8-18(9-3-15)35-22(34)14-1-12-21-20(13-14)32-23(33(21)17-6-7-17)36-19-10-4-16(5-11-19)25(29,30)31/h1,12-13,15-19H,2-11H2
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471785
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1r,4r)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(O[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C28H34F3N3O4S/c1-4-39(36,37)23-12-5-19(6-13-23)16-32-26(35)20-7-14-25-24(15-20)33-27(34(25)17-18(2)3)38-22-10-8-21(9-11-22)28(29,30)31/h5-7,12-15,18,21-22H,4,8-11,16-17H2,1-3H3,(H,32,35)/t21-,22-
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416459
PNG
((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydro...)
Show SMILES CCn1c(OCc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H28F3N3O5S/c1-3-34-25-14-9-20(26(36)32-24(16-35)19-7-12-22(13-8-19)40(37,38)4-2)15-23(25)33-27(34)39-17-18-5-10-21(11-6-18)28(29,30)31/h5-15,24,35H,3-4,16-17H2,1-2H3,(H,32,36)/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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416462
PNG
((R)-2-(cyclopropylmethoxy)-1-ethyl-N-(1-(4-(ethyls...)
Show SMILES CCn1c(OCC2CC2)nc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C24H29N3O5S/c1-3-27-22-12-9-18(13-20(22)26-24(27)32-15-16-5-6-16)23(29)25-21(14-28)17-7-10-19(11-8-17)33(30,31)4-2/h7-13,16,21,28H,3-6,14-15H2,1-2H3,(H,25,29)/t21-/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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471807
PNG
(1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2- (((1r,4r)-4...)
Show SMILES CCn1c(CC2CCC(CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C27H32F3N3O3S/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/h7-9,12-14,16,18,21H,3-6,10-11,15,17H2,1-2H3,(H,31,34)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416414
PNG
(1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(trifluor...)
Show SMILES CCn1c(Cc2ccc(cc2)C(F)(F)F)cc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H27F3N2O3S/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/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,32,34)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM416416
PNG
((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydro...)
Show SMILES CCn1c(Cc2ccc(cc2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C29H29F3N2O4S/c1-3-34-24(15-19-5-10-23(11-6-19)29(30,31)32)17-22-16-21(9-14-27(22)34)28(36)33-26(18-35)20-7-12-25(13-8-20)39(37,38)4-2/h5-14,16-17,26,35H,3-4,15,18H2,1-2H3,(H,33,36)/t26-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM416421
PNG
((R)-2-(3-(difluoromethoxy)benzyl)-1-ethyl-N-(1-(5-...)
Show SMILES CCn1c(Cc2cccc(OC(F)F)c2)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C28H29F2N3O5S/c1-3-33-21(12-18-6-5-7-22(13-18)38-28(29)30)15-20-14-19(8-11-26(20)33)27(35)32-25(17-34)24-10-9-23(16-31-24)39(36,37)4-2/h5-11,13-16,25,28,34H,3-4,12,17H2,1-2H3,(H,32,35)/t25-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471782
PNG
(1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2- (((1r,4r)-4...)
Show SMILES CCn1c(OC2CCC(CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C26H30F3N3O4S/c1-3-32-23-14-7-18(24(33)30-16-17-5-12-21(13-6-17)37(34,35)4-2)15-22(23)31-25(32)36-20-10-8-19(9-11-20)26(27,28)29/h5-7,12-15,19-20H,3-4,8-11,16H2,1-2H3,(H,30,33)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471750
PNG
(1-ethyl-N-((R)-1-(5-(ethylsulfonyl)pyridin-2-yl)-2...)
Show SMILES CCn1c(CC2CCC(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-/m1/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


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


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


(Homo sapiens (Human))
BDBM471811
PNG
(1-ethyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2- hydr...)
Show SMILES CCn1c(CC2CCC(CC2)C(F)(F)F)nc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H34F3N3O4S/c1-3-34-25-14-9-20(16-23(25)32-26(34)15-18-5-10-21(11-6-18)28(29,30)31)27(36)33-24(17-35)19-7-12-22(13-8-19)39(37,38)4-2/h7-9,12-14,16,18,21,24,35H,3-6,10-11,15,17H2,1-2H3,(H,33,36)/t18?,21?,24-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471818
PNG
(1-cyclopropyl-N-((5-(ethylsulfonyl)pyridin-2-yl)me...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(CC4CCC(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)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416418
PNG
((R)-1-ethyl-N-(1-(5-(ethylsulfonyl)pyridin-2-yl)-2...)
Show SMILES CCn1c(Cc2ccc(cc2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C28H28F3N3O4S/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/h5-12,14-16,25,35H,3-4,13,17H2,1-2H3,(H,33,36)/t25-/m1/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471783
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2- (((1r...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(OC4CCC(CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C27H30F3N3O4S/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/h3-5,12-15,19-21H,2,6-11,16H2,1H3,(H,31,34)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


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


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


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


(Homo sapiens (Human))
BDBM471802
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1r,4r)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(CC4CCC(CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C29H36F3N3O3S/c1-4-39(37,38)24-12-7-21(8-13-24)17-33-28(36)22-9-14-26-25(16-22)34-27(35(26)18-19(2)3)15-20-5-10-23(11-6-20)29(30,31)32/h7-9,12-14,16,19-20,23H,4-6,10-11,15,17-18H2,1-3H3,(H,33,36)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471814
PNG
(1-cyclopropyl-N-((S)-1-(4- (ethylsulfonyl)phenyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CCO)NC(=O)c1ccc2n(C3CC3)c(CC3CCC(CC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C30H36F3N3O4S/c1-2-41(39,40)24-12-5-20(6-13-24)25(15-16-37)35-29(38)21-7-14-27-26(18-21)34-28(36(27)23-10-11-23)17-19-3-8-22(9-4-19)30(31,32)33/h5-7,12-14,18-19,22-23,25,37H,2-4,8-11,15-17H2,1H3,(H,35,38)/t19?,22?,25-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471822
PNG
(1-cyclopropyl-N-(4-(methylsulfonyl)benzyl)- 2-(((1...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(CC4CCC(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)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471825
PNG
(1-cyclopropyl-N-((R)-2-hydroxy-1-(4- (methylsulfon...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(CC3CCC(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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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416502
PNG
(2-((5-chloropyridin-2-yl)methyl)-1-cyclopropyl-N-(...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(Cc4ccc(Cl)cn4)nc3c2)cc1
Show InChI InChI=1S/C26H25ClN4O3S/c1-2-35(33,34)22-10-3-17(4-11-22)15-29-26(32)18-5-12-24-23(13-18)30-25(31(24)21-8-9-21)14-20-7-6-19(27)16-28-20/h3-7,10-13,16,21H,2,8-9,14-15H2,1H3,(H,29,32)
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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416432
PNG
(1-ethyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2-hydro...)
Show SMILES CCn1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C29H35F3N2O4S/c1-3-34-24(15-19-5-10-23(11-6-19)29(30,31)32)17-22-16-21(9-14-27(22)34)28(36)33-26(18-35)20-7-12-25(13-8-20)39(37,38)4-2/h7-9,12-14,16-17,19,23,26,35H,3-6,10-11,15,18H2,1-2H3,(H,33,36)/t19-,23-,26-/m0/s1
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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471774
PNG
((R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2- hydr...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(cc2cc(Br)ccc12)C(O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C22H16BrF3N2O3S/c1-13-2-6-17(7-3-13)32(30,31)28-19-9-5-16(23)10-14(19)11-20(28)21(29)18-8-4-15(12-27-18)22(24,25)26/h2-12,21,29H,1H3
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416415
PNG
(1-ethyl-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-...)
Show SMILES CCn1c(Cc2ccc(cc2)C(F)(F)F)cc2cc(ccc12)C(=O)NCc1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C27H26F3N3O3S/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/h5-12,14-15,17H,3-4,13,16H2,1-2H3,(H,32,34)
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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471779
PNG
(1-cyclopropyl-N-((R)-1-(4- (ethylsulfonyl)phenyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1cnc2n(C3CC3)c(CC3CCC(CC3)C(F)(F)F)cc2c1
Show InChI InChI=1S/C29H34F3N3O4S/c1-2-40(38,39)25-11-5-19(6-12-25)26(17-36)34-28(37)21-14-20-15-24(35(23-9-10-23)27(20)33-16-21)13-18-3-7-22(8-4-18)29(30,31)32/h5-6,11-12,14-16,18,22-23,26,36H,2-4,7-10,13,17H2,1H3,(H,34,37)/t18?,22?,26-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471749
PNG
((R)-1-cyclopropyl-N-(1-(4- (ethylsulfonyl)phenyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)C(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)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416457
PNG
((R)-2-((4,4-difluorocyclohexyl)methoxy)-1-ethyl-N-...)
Show SMILES CCn1c(OCC2CCC(F)(F)CC2)nc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C27H33F2N3O5S/c1-3-32-24-10-7-20(15-22(24)31-26(32)37-17-18-11-13-27(28,29)14-12-18)25(34)30-23(16-33)19-5-8-21(9-6-19)38(35,36)4-2/h5-10,15,18,23,33H,3-4,11-14,16-17H2,1-2H3,(H,30,34)/t23-/m0/s1
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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471810
PNG
(1-cyclopropyl-N-((S)-1-(4- (ethylsulfonyl)phenyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1ccc2n(C3CC3)c(CC3CCC(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-/m1/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471818
PNG
(1-cyclopropyl-N-((5-(ethylsulfonyl)pyridin-2-yl)me...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(CC4CCC(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)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416490
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(4-(trifl...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(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)17-33-28(36)22-9-14-26-25(16-22)34-27(35(26)18-19(2)3)15-20-5-10-23(11-6-20)29(30,31)32/h5-14,16,19H,4,15,17-18H2,1-3H3,(H,33,36)
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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471862
PNG
(US10829448, Compound BE-57.2)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C)c(C[C@@H]3CC[C@H](OC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C26H30F3N3O5S/c1-3-38(35,36)19-8-5-17(6-9-19)21(14-33)31-25(34)18-7-10-22-20(13-18)30-24(32(22)2)12-16-4-11-23(37-15-16)26(27,28)29/h5-10,13,16,21,23,33H,3-4,11-12,14-15H2,1-2H3,(H,31,34)/t16-,21-,23-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471884
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(CO[C@H]3CC[C@@H](CC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C29H34F3N3O5S/c1-2-41(38,39)23-12-3-18(4-13-23)25(16-36)34-28(37)19-5-14-26-24(15-19)33-27(35(26)21-8-9-21)17-40-22-10-6-20(7-11-22)29(30,31)32/h3-5,12-15,20-22,25,36H,2,6-11,16-17H2,1H3,(H,34,37)/t20-,22-,25-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471778
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2- (((1r...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3n(C4CC4)c(CC4CCC(CC4)C(F)(F)F)cc3c2)cc1
Show InChI InChI=1S/C28H32F3N3O3S/c1-2-38(36,37)25-11-5-19(6-12-25)16-33-27(35)21-14-20-15-24(34(23-9-10-23)26(20)32-17-21)13-18-3-7-22(8-4-18)28(29,30)31/h5-6,11-12,14-15,17-18,22-23H,2-4,7-10,13,16H2,1H3,(H,33,35)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416417
PNG
((R)-1-ethyl-N-(1-(5-(ethylsulfonyl)pyridin-2-yl)-2...)
Show SMILES CCn1c(Cc2ccc(cc2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C28H28F3N3O4S/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/h5-12,14-16,25,35H,3-4,13,17H2,1-2H3,(H,33,36)/t25-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416450
PNG
(1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(trifluor...)
Show SMILES CCn1c(Oc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C26H24F3N3O4S/c1-3-32-23-14-7-18(24(33)30-16-17-5-12-21(13-6-17)37(34,35)4-2)15-22(23)31-25(32)36-20-10-8-19(9-11-20)26(27,28)29/h5-15H,3-4,16H2,1-2H3,(H,30,33)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


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


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471816
PNG
(N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-isobut...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)nc1
Show InChI InChI=1S/C28H35F3N4O3S/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/h7,10-12,14,16,18-19,21H,4-6,8-9,13,15,17H2,1-3H3,(H,33,36)/t19-,21-
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471823
PNG
(1-cyclopropyl-N-((5-(N- methylsulfamoyl)pyridin-2-...)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(CC4CCC(CC4)C(F)(F)F)nc3c2)nc1
Show InChI InChI=1S/C26H30F3N5O3S/c1-30-38(36,37)21-10-7-19(31-15-21)14-32-25(35)17-4-11-23-22(13-17)33-24(34(23)20-8-9-20)12-16-2-5-18(6-3-16)26(27,28)29/h4,7,10-11,13,15-16,18,20,30H,2-3,5-6,8-9,12,14H2,1H3,(H,32,35)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416488
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-neopentyl-2-(4-(trif...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)(C)C)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C30H32F3N3O3S/c1-5-40(38,39)24-13-8-21(9-14-24)18-34-28(37)22-10-15-26-25(17-22)35-27(36(26)19-29(2,3)4)16-20-6-11-23(12-7-20)30(31,32)33/h6-15,17H,5,16,18-19H2,1-4H3,(H,34,37)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416523
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/C28H24F3N3O4S/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/h3-9,12-15,21H,2,10-11,16H2,1H3,(H,32,36)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471885
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(CO[C@H]3CC[C@@H](CC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C29H34F3N3O5S/c1-2-41(38,39)23-12-3-18(4-13-23)25(16-36)34-28(37)19-5-14-26-24(15-19)33-27(35(26)21-8-9-21)17-40-22-10-6-20(7-11-22)29(30,31)32/h3-5,12-15,20-22,25,36H,2,6-11,16-17H2,1H3,(H,34,37)/t20-,22-,25-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416531
PNG
(3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C27H31F3N4O3S/c1-2-38(36,37)22-11-5-18(6-12-22)15-32-26(35)19-14-23-25(31-16-19)34(21-9-10-21)24(33-23)13-17-3-7-20(8-4-17)27(28,29)30/h5-6,11-12,14,16-17,20-21H,2-4,7-10,13,15H2,1H3,(H,32,35)/t17-,20-
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471773
PNG
((R)-2-(4-cyanobenzyl)-1-ethyl-N-(1-(5- (ethylsulfo...)
Show SMILES CCn1c(Cc2ccc(NC=O)cc2)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C28H30N4O5S/c1-3-32-23(13-19-5-8-22(9-6-19)30-18-34)15-21-14-20(7-12-27(21)32)28(35)31-26(17-33)25-11-10-24(16-29-25)38(36,37)4-2/h5-12,14-16,18,26,33H,3-4,13,17H2,1-2H3,(H,30,34)(H,31,35)/t26-/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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416432
PNG
(1-ethyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2-hydro...)
Show SMILES CCn1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C29H35F3N2O4S/c1-3-34-24(15-19-5-10-23(11-6-19)29(30,31)32)17-22-16-21(9-14-27(22)34)28(36)33-26(18-35)20-7-12-25(13-8-20)39(37,38)4-2/h7-9,12-14,16-17,19,23,26,35H,3-6,10-11,15,18H2,1-2H3,(H,33,36)/t19-,23-,26-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471809
PNG
(1-cyclopropyl-N-((R)-1-(4- (ethylsulfonyl)phenyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(CC3CCC(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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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471826
PNG
(1-cyclopropyl-N-(4-(N- methylsulfamoyl)benzyl)-2-(...)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(CC4CCC(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)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471879
PNG
((S)-2-(1-cyclopropyl-2-(((1r,4S)-4- (trifluorometh...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](COC(N)=O)NC(=O)c1ccc2n(C3CC3)c(CC3CCC(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-/m1/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


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


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


(Homo sapiens (Human))
BDBM416531
PNG
(3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C27H31F3N4O3S/c1-2-38(36,37)22-11-5-18(6-12-22)15-32-26(35)19-14-23-25(31-16-19)34(21-9-10-21)24(33-23)13-17-3-7-20(8-4-17)27(28,29)30/h5-6,11-12,14,16-17,20-21H,2-4,7-10,13,15H2,1H3,(H,32,35)/t17-,20-
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


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


(Homo sapiens (Human))
BDBM416422
PNG
((R)-2-(4-chlorobenzyl)-1-ethyl-N-(1-(5-(ethylsulfo...)
Show SMILES CCn1c(Cc2ccc(Cl)cc2)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C27H28ClN3O4S/c1-3-31-22(13-18-5-8-21(28)9-6-18)15-20-14-19(7-12-26(20)31)27(33)30-25(17-32)24-11-10-23(16-29-24)36(34,35)4-2/h5-12,14-16,25,32H,3-4,13,17H2,1-2H3,(H,30,33)/t25-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


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


(Homo sapiens (Human))
BDBM471786
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2- (((1s,4s...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(O[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C28H34F3N3O4S/c1-4-39(36,37)23-12-5-19(6-13-23)16-32-26(35)20-7-14-25-24(15-20)33-27(34(25)17-18(2)3)38-22-10-8-21(9-11-22)28(29,30)31/h5-7,12-15,18,21-22H,4,8-11,16-17H2,1-3H3,(H,32,35)/t21-,22-
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


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


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


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471756
PNG
(1-ethyl-N-((R)-1-(5-(ethylsulfonyl)pyridin-2-yl)-2...)
Show SMILES CCn1c(CC2CCC(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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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471817
PNG
(N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1- isobu...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)nc1
Show InChI InChI=1S/C28H35F3N4O3S/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/h7,10-12,14,16,18-19,21H,4-6,8-9,13,15,17H2,1-3H3,(H,33,36)/t19-,21-
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471820
PNG
(1-cyclopropyl-N-((R)-1-(5- (ethylsulfonyl)pyridin-...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(CC3CCC(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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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416497
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(Cc3ccc(OC(F)(F)F)cc3)nc2c1
Show InChI InChI=1S/C29H28F3N3O5S/c1-2-41(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)21-8-9-21)15-18-3-10-22(11-4-18)40-29(30,31)32/h3-7,10-14,16,21,25,36H,2,8-9,15,17H2,1H3,(H,34,37)/t25-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471878
PNG
((R)-2-(1-cyclopropyl-2-(((1r,4R)-4- (trifluorometh...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC(N)=O)NC(=O)c1ccc2n(C3CC3)c(CC3CCC(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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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416534
PNG
(3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(4-(tr...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3n(C4CC4)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C27H25F3N4O3S/c1-2-38(36,37)22-11-5-18(6-12-22)15-32-26(35)19-14-23-25(31-16-19)34(21-9-10-21)24(33-23)13-17-3-7-20(8-4-17)27(28,29)30/h3-8,11-12,14,16,21H,2,9-10,13,15H2,1H3,(H,32,35)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416438
PNG
((R)-2-(4-carbamoylbenzyl)-1-ethyl-N-(1-(5-(ethylsu...)
Show SMILES CCn1c(Cc2ccc(cc2)C(N)=O)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cn1)S(=O)(=O)CC
Show InChI InChI=1S/C28H30N4O5S/c1-3-32-22(13-18-5-7-19(8-6-18)27(29)34)15-21-14-20(9-12-26(21)32)28(35)31-25(17-33)24-11-10-23(16-30-24)38(36,37)4-2/h5-12,14-16,25,33H,3-4,13,17H2,1-2H3,(H2,29,34)(H,31,35)/t25-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM416517
PNG
(N-(4-(ethylsulfonyl)benzyl)-7-methoxy-1-methyl-2-(...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc(OC)c3n(C)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C27H26F3N3O4S/c1-4-38(35,36)21-11-7-18(8-12-21)16-31-26(34)19-14-22-25(23(15-19)37-3)33(2)24(32-22)13-17-5-9-20(10-6-17)27(28,29)30/h5-12,14-15H,4,13,16H2,1-3H3,(H,31,34)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471863
PNG
(US10829448, Compound BE-57.3)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C)c(C[C@H]3CC[C@@H](OC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C26H30F3N3O5S/c1-3-38(35,36)19-8-5-17(6-9-19)21(14-33)31-25(34)18-7-10-22-20(13-18)30-24(32(22)2)12-16-4-11-23(37-15-16)26(27,28)29/h5-10,13,16,21,23,33H,3-4,11-12,14-15H2,1-2H3,(H,31,34)/t16-,21+,23-/m1/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416519
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)N1CCC(CC1)C(F)(F)F
Show InChI InChI=1S/C28H31F3N4O5S/c1-2-41(39,40)21-8-3-17(4-9-21)23(16-36)33-26(37)18-5-10-24-22(15-18)32-25(35(24)20-6-7-20)27(38)34-13-11-19(12-14-34)28(29,30)31/h3-5,8-10,15,19-20,23,36H,2,6-7,11-14,16H2,1H3,(H,33,37)/t23-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471812
PNG
(1-ethyl-N-((S)-1-(4-(ethylsulfonyl)phenyl)-2- hydr...)
Show SMILES CCn1c(CC2CCC(CC2)C(F)(F)F)nc2cc(ccc12)C(=O)N[C@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H34F3N3O4S/c1-3-34-25-14-9-20(16-23(25)32-26(34)15-18-5-10-21(11-6-18)28(29,30)31)27(36)33-24(17-35)19-7-12-22(13-8-19)39(37,38)4-2/h7-9,12-14,16,18,21,24,35H,3-6,10-11,15,17H2,1-2H3,(H,33,36)/t18?,21?,24-/m1/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471868
PNG
(7-bromo-N-(4-(ethylsulfonyl)benzyl)-1- methyl-2-((...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)c3n(C)c(CC4CCC(CC4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C26H29BrF3N3O3S/c1-3-37(35,36)20-10-6-17(7-11-20)15-31-25(34)18-13-21(27)24-22(14-18)32-23(33(24)2)12-16-4-8-19(9-5-16)26(28,29)30/h6-7,10-11,13-14,16,19H,3-5,8-9,12,15H2,1-2H3,(H,31,34)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471857
PNG
(US10829448, Compound BE-56.1)
Show SMILES CCn1c(C[C@@H]2CC[C@@H](OC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C26H30F3N3O4S/c1-3-32-22-11-8-19(25(33)30-15-17-5-9-20(10-6-17)37(34,35)4-2)14-21(22)31-24(32)13-18-7-12-23(36-16-18)26(27,28)29/h5-6,8-11,14,18,23H,3-4,7,12-13,15-16H2,1-2H3,(H,30,33)/t18-,23+/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM471859
PNG
(US10829448, Compound BE-56.3)
Show SMILES CCn1c(C[C@@H]2CC[C@H](OC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C26H30F3N3O4S/c1-3-32-22-11-8-19(25(33)30-15-17-5-9-20(10-6-17)37(34,35)4-2)14-21(22)31-24(32)13-18-7-12-23(36-16-18)26(27,28)29/h5-6,8-11,14,18,23H,3-4,7,12-13,15-16H2,1-2H3,(H,30,33)/t18-,23-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM416533
PNG
(3-cyclopropyl-N-(4-(methylsulfonyl)benzyl)-2-(4-(t...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cnc3n(C4CC4)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C26H23F3N4O3S/c1-37(35,36)21-10-4-17(5-11-21)14-31-25(34)18-13-22-24(30-15-18)33(20-8-9-20)23(32-22)12-16-2-6-19(7-3-16)26(27,28)29/h2-7,10-11,13,15,20H,8-9,12,14H2,1H3,(H,31,34)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416491
PNG
(1-(tert-butyl)-N-((5-(ethylsulfonyl)pyridin-2-yl)m...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(c(Cc4ccc(cc4)C(F)(F)F)nc3c2)C(C)(C)C)nc1
Show InChI InChI=1S/C28H29F3N4O3S/c1-5-39(37,38)22-12-11-21(32-17-22)16-33-26(36)19-8-13-24-23(15-19)34-25(35(24)27(2,3)4)14-18-6-9-20(10-7-18)28(29,30)31/h6-13,15,17H,5,14,16H2,1-4H3,(H,33,36)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471860
PNG
(US10829448, Compound BE-56.4)
Show SMILES CCn1c(C[C@H]2CC[C@H](OC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C26H30F3N3O4S/c1-3-32-22-11-8-19(25(33)30-15-17-5-9-20(10-6-17)37(34,35)4-2)14-21(22)31-24(32)13-18-7-12-23(36-16-18)26(27,28)29/h5-6,8-11,14,18,23H,3-4,7,12-13,15-16H2,1-2H3,(H,30,33)/t18-,23+/m1/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416501
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-((6-(t...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(Cc4ccc(nc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C27H25F3N4O3S/c1-2-38(36,37)21-9-3-17(4-10-21)15-32-26(35)19-6-11-23-22(14-19)33-25(34(23)20-7-8-20)13-18-5-12-24(31-16-18)27(28,29)30/h3-6,9-12,14,16,20H,2,7-8,13,15H2,1H3,(H,32,35)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471858
PNG
(US10829448, Compound BE-56.2)
Show SMILES CCn1c(C[C@H]2CC[C@@H](OC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C26H30F3N3O4S/c1-3-32-22-11-8-19(25(33)30-15-17-5-9-20(10-6-17)37(34,35)4-2)14-21(22)31-24(32)13-18-7-12-23(36-16-18)26(27,28)29/h5-6,8-11,14,18,23H,3-4,7,12-13,15-16H2,1-2H3,(H,30,33)/t18-,23-/m1/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416441
PNG
(1-ethyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2-hydro...)
Show SMILES CCn1c(cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC)C(O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C28H28F3N3O5S/c1-3-34-24-12-7-18(27(37)33-23(16-35)17-5-9-21(10-6-17)40(38,39)4-2)13-19(24)14-25(34)26(36)22-11-8-20(15-32-22)28(29,30)31/h5-15,23,26,35-36H,3-4,16H2,1-2H3,(H,33,37)/t23-,26?/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


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


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471861
PNG
(US10829448, Compound BE-57.1)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C)c(C[C@@H]3CC[C@@H](OC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C26H30F3N3O5S/c1-3-38(35,36)19-8-5-17(6-9-19)21(14-33)31-25(34)18-7-10-22-20(13-18)30-24(32(22)2)12-16-4-11-23(37-15-16)26(27,28)29/h5-10,13,16,21,23,33H,3-4,11-12,14-15H2,1-2H3,(H,31,34)/t16-,21-,23+/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471874
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2- (hydr...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(nc3c2)C(O)[C@H]2CC[C@@H](CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H32F3N3O4S/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/h3-4,7,12-15,18,20-21,25,35H,2,5-6,8-11,16H2,1H3,(H,32,36)/t18-,20-,25?
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416500
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-((1-(2...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(CC4CCN(CC(F)(F)F)CC4)nc3c2)cc1
Show InChI InChI=1S/C28H33F3N4O3S/c1-2-39(37,38)23-8-3-20(4-9-23)17-32-27(36)21-5-10-25-24(16-21)33-26(35(25)22-6-7-22)15-19-11-13-34(14-12-19)18-28(29,30)31/h3-5,8-10,16,19,22H,2,6-7,11-15,17-18H2,1H3,(H,32,36)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471864
PNG
(US10829448, Compound BE-57.4)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C)c(C[C@H]3CC[C@H](OC3)C(F)(F)F)nc2c1
Show InChI InChI=1S/C26H30F3N3O5S/c1-3-38(35,36)19-8-5-17(6-9-19)21(14-33)31-25(34)18-7-10-22-20(13-18)30-24(32(22)2)12-16-4-11-23(37-15-16)26(27,28)29/h5-10,13,16,21,23,33H,3-4,11-12,14-15H2,1-2H3,(H,31,34)/t16-,21+,23+/m1/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM416455
PNG
((R)-N-(2-(dimethylamino)-1-(4-(ethylsulfonyl)pheny...)
Show SMILES CCn1c(Oc2ccc(cc2)C(F)(F)F)nc2cc(ccc12)C(=O)N[C@@H](CN(C)C)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C29H31F3N4O4S/c1-5-36-26-16-9-20(17-24(26)34-28(36)40-22-12-10-21(11-13-22)29(30,31)32)27(37)33-25(18-35(3)4)19-7-14-23(15-8-19)41(38,39)6-2/h7-17,25H,5-6,18H2,1-4H3,(H,33,37)/t25-/m0/s1
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


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


(Homo sapiens (Human))
BDBM416489
PNG
(N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-isopro...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C(C)C)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)nc1
Show InChI InChI=1S/C27H27F3N4O3S/c1-4-38(36,37)22-11-10-21(31-16-22)15-32-26(35)19-7-12-24-23(14-19)33-25(34(24)17(2)3)13-18-5-8-20(9-6-18)27(28,29)30/h5-12,14,16-17H,4,13,15H2,1-3H3,(H,32,35)
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Compounds described herein were tested for ability to bind to RORγ in a cell-free competition assay with commercially available radio-ligand (RL...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416516
PNG
(7-bromo-N-(4-(ethylsulfonyl)benzyl)-1-methyl-2-(4-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)c3n(C)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C26H23BrF3N3O3S/c1-3-37(35,36)20-10-6-17(7-11-20)15-31-25(34)18-13-21(27)24-22(14-18)32-23(33(24)2)12-16-4-8-19(9-5-16)26(28,29)30/h4-11,13-14H,3,12,15H2,1-2H3,(H,31,34)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416527
PNG
(2-(4-(ethylsulfonyl)phenyl)-N-(1-isobutyl-2-((4-(t...)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(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)15-27(36)32-22-7-10-25-24(16-22)33-26(35(25)17-19(2)3)18-34-13-11-21(12-14-34)28(29,30)31/h5-10,16,19,21H,4,11-15,17-18H2,1-3H3,(H,32,36)
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550n/an/an/an/an/an/an/an/a


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM416483
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-methyl-2-(4-(trifluo...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C)c(Cc4ccc(cc4)C(F)(F)F)nc3c2)cc1
Show InChI InChI=1S/C26H24F3N3O3S/c1-3-36(34,35)21-11-6-18(7-12-21)16-30-25(33)19-8-13-23-22(15-19)31-24(32(23)2)14-17-4-9-20(10-5-17)26(27,28)29/h4-13,15H,3,14,16H2,1-2H3,(H,30,33)
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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
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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550n/an/an/an/an/an/an/an/a


TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471821
PNG
(1-cyclopropyl-N-((S)-1-(5- (ethylsulfonyl)pyridin-...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](CO)NC(=O)c1ccc2n(C3CC3)c(CC3CCC(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-/m1/s1
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TBA

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...


Citation and Details
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM471873
PNG
(1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(hydro...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(nc3c2)C(O)[C@H]2CC[C@@H](CC2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H32F3N3O4S/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/h3-4,7,12-15,18,20-21,25,35H,2,5-6,8-11,16H2,1H3,(H,32,36)/t18-,20-,25?
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>1.00E+3n/an/an/an/an/an/an/an/a


TBA

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...


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