BindingDB logo
myBDB logout

Patent code US10829481

Compile Data Set for Download or QSAR
Found 189 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))
BDBM472349
PNG
(1-(benzo[d]oxazol-4-ylmethyl)-N-(4-(ethylsulfonyl)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5ocnc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N4O4S/c1-2-38(35,36)19-9-6-16(7-10-19)13-30-24(34)17-8-11-21-20(12-17)32-25(26(27,28)29)33(21)14-18-4-3-5-22-23(18)31-15-37-22/h3-12,15H,2,13-14H2,1H3,(H,30,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472371
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CS(=O)(=O)N1CCC(CC1)[C@@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C25H25F5N4O6S/c1-41(37,38)33-9-7-14(8-10-33)18(13-35)31-22(36)15-5-6-19-17(11-15)32-23(24(26,27)28)34(19)12-16-3-2-4-20-21(16)40-25(29,30)39-20/h2-6,11,14,18,35H,7-10,12-13H2,1H3,(H,31,36)/t18-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472373
PNG
((S)-3-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)me...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CC(O)=O)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C28H22F5N3O7S/c1-2-44(40,41)18-9-6-15(7-10-18)19(13-23(37)38)34-25(39)16-8-11-21-20(12-16)35-26(27(29,30)31)36(21)14-17-4-3-5-22-24(17)43-28(32,33)42-22/h3-12,19H,2,13-14H2,1H3,(H,34,39)(H,37,38)/t19-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472385
PNG
(N-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](O)C(=O)Nc1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C26H20F5N3O6S/c1-2-41(37,38)17-9-6-14(7-10-17)21(35)23(36)32-16-8-11-19-18(12-16)33-24(25(27,28)29)34(19)13-15-4-3-5-20-22(15)40-26(30,31)39-20/h3-12,21,35H,2,13H2,1H3,(H,32,36)/t21-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472388
PNG
(1-((2,3-dihydrobenzofuran-4-yl)methyl)-N-(4-(ethyl...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OCCc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N3O4S/c1-2-38(35,36)20-9-6-17(7-10-20)15-31-25(34)18-8-11-23-22(14-18)32-26(27(28,29)30)33(23)16-19-4-3-5-24-21(19)12-13-37-24/h3-11,14H,2,12-13,15-16H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472152
PNG
(N-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl...)
Show SMILES CS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H18F5N3O5S/c1-39(35,36)17-8-5-14(6-9-17)11-21(34)31-16-7-10-19-18(12-16)32-23(24(26,27)28)33(19)13-15-3-2-4-20-22(15)38-25(29,30)37-20/h2-10,12H,11,13H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472153
PNG
(N-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl...)
Show SMILES OCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H20F5N3O6S/c27-25(28,29)24-33-19-13-17(32-22(36)12-15-4-7-18(8-5-15)41(37,38)11-10-35)6-9-20(19)34(24)14-16-2-1-3-21-23(16)40-26(30,31)39-21/h1-9,13,35H,10-12,14H2,(H,32,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472177
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1(F)CC1
Show InChI InChI=1S/C29H26F3N3O6S/c1-2-42(38,39)20-9-6-17(7-10-20)22(16-36)33-26(37)18-8-11-23-21(14-18)34-27(28(30)12-13-28)35(23)15-19-4-3-5-24-25(19)41-29(31,32)40-24/h3-11,14,22,36H,2,12-13,15-16H2,1H3,(H,33,37)/t22-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472185
PNG
((R)-2-cyclobutyl-1-((2,2-difluorobenzo[d][1,3]diox...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1CCC1
Show InChI InChI=1S/C29H27F2N3O6S/c1-41(37,38)21-11-8-17(9-12-21)23(16-35)33-28(36)19-10-13-24-22(14-19)32-27(18-4-2-5-18)34(24)15-20-6-3-7-25-26(20)40-29(30,31)39-25/h3,6-14,18,23,35H,2,4-5,15-16H2,1H3,(H,33,36)/t23-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472217
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES OCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)F)cc1
Show InChI InChI=1S/C26H21F4N3O6S/c27-23(28)24-32-19-12-16(25(35)31-13-15-4-7-18(8-5-15)40(36,37)11-10-34)6-9-20(19)33(24)14-17-2-1-3-21-22(17)39-26(29,30)38-21/h1-9,12,23,34H,10-11,13-14H2,(H,31,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472222
PNG
((S)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)[C@H](C)OC)cc1
Show InChI InChI=1S/C28H27F2N3O6S/c1-4-40(35,36)21-11-8-18(9-12-21)15-31-27(34)19-10-13-23-22(14-19)32-26(17(2)37-3)33(23)16-20-6-5-7-24-25(20)39-28(29,30)38-24/h5-14,17H,4,15-16H2,1-3H3,(H,31,34)/t17-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472225
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)F)cc1
Show InChI InChI=1S/C25H19F4N3O5S/c1-38(34,35)17-8-5-14(6-9-17)12-30-24(33)15-7-10-19-18(11-15)31-23(22(26)27)32(19)13-16-3-2-4-20-21(16)37-25(28,29)36-20/h2-11,22H,12-13H2,1H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472230
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(OC)nc3c2)cc1
Show InChI InChI=1S/C26H23F2N3O6S/c1-3-38(33,34)19-10-7-16(8-11-19)14-29-24(32)17-9-12-21-20(13-17)30-25(35-2)31(21)15-18-5-4-6-22-23(18)37-26(27,28)36-22/h4-13H,3,14-15H2,1-2H3,(H,29,32)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472238
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](COC)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C27H23F5N4O6S/c1-3-43(38,39)17-8-9-18(33-12-17)20(14-40-2)34-24(37)15-7-10-21-19(11-15)35-25(26(28,29)30)36(21)13-16-5-4-6-22-23(16)42-27(31,32)41-22/h4-12,20H,3,13-14H2,1-2H3,(H,34,37)/t20-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472250
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES CS(=O)(=O)N1CCC(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2(F)CC2)CC1
Show InChI InChI=1S/C26H27F3N4O5S/c1-39(35,36)32-11-7-16(8-12-32)14-30-23(34)17-5-6-20-19(13-17)31-24(25(27)9-10-25)33(20)15-18-3-2-4-21-22(18)38-26(28,29)37-21/h2-6,13,16H,7-12,14-15H2,1H3,(H,30,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472276
PNG
(1-(5-cyano-2-fluorobenzyl)-N-(4-(ethylsulfonyl)ben...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cc(ccc4F)C#N)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H20F4N4O3S/c1-2-38(36,37)20-7-3-16(4-8-20)14-32-24(35)18-6-10-23-22(12-18)33-25(26(28,29)30)34(23)15-19-11-17(13-31)5-9-21(19)27/h3-12H,2,14-15H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472279
PNG
(1-((1H-indazol-4-yl)methyl)-N-(4-(ethylsulfonyl)be...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5[nH]ncc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H22F3N5O3S/c1-2-38(36,37)19-9-6-16(7-10-19)13-30-24(35)17-8-11-23-22(12-17)32-25(26(27,28)29)34(23)15-18-4-3-5-21-20(18)14-31-33-21/h3-12,14H,2,13,15H2,1H3,(H,30,35)(H,31,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472285
PNG
((R)-2-cyclopropyl-1-((2,2-dimethyl-2,3-dihydrobenz...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4CC(C)(C)Oc34)c(nc2c1)C1CC1
Show InChI InChI=1S/C32H35N3O5S/c1-4-41(38,39)25-13-10-20(11-14-25)27(19-36)34-31(37)22-12-15-28-26(16-22)33-30(21-8-9-21)35(28)18-24-7-5-6-23-17-32(2,3)40-29(23)24/h5-7,10-16,21,27,36H,4,8-9,17-19H2,1-3H3,(H,34,37)/t27-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472288
PNG
(2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-(4- | ...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4ccc(OC(F)(F)F)cc4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H26F3N3O4S/c1-2-39(36,37)23-12-5-18(6-13-23)16-32-27(35)21-9-14-25-24(15-21)33-26(20-7-8-20)34(25)17-19-3-10-22(11-4-19)38-28(29,30)31/h3-6,9-15,20H,2,7-8,16-17H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472311
PNG
(2-(4-((1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)me...)
Show SMILES OC(=O)CC1CCC(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)CC1
Show InChI InChI=1S/C26H24F5N3O5/c27-25(28,29)24-33-18-11-16(23(37)32-12-15-6-4-14(5-7-15)10-21(35)36)8-9-19(18)34(24)13-17-2-1-3-20-22(17)39-26(30,31)38-20/h1-3,8-9,11,14-15H,4-7,10,12-13H2,(H,32,37)(H,35,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472328
PNG
((R)-2-cyclobutyl-1-((2,2-difluorobenzo[d][1,3]diox...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1CCC1
Show InChI InChI=1S/C29H28F2N4O6S/c1-2-42(38,39)20-10-11-21(32-14-20)23(16-36)34-28(37)18-9-12-24-22(13-18)33-27(17-5-3-6-17)35(24)15-19-7-4-8-25-26(19)41-29(30,31)40-25/h4,7-14,17,23,36H,2-3,5-6,15-16H2,1H3,(H,34,37)/t23-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472345
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((2-methyl-2H-indazo...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5nn(C)cc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N5O3S/c1-3-39(37,38)20-10-7-17(8-11-20)14-31-25(36)18-9-12-24-23(13-18)32-26(27(28,29)30)35(24)15-19-5-4-6-22-21(19)16-34(2)33-22/h4-13,16H,3,14-15H2,1-2H3,(H,31,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472356
PNG
(1-(benzo[d]oxazol-7-ylmethyl)-N-(4-(ethylsulfonyl)...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5ncoc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N4O4S/c1-2-38(35,36)19-9-6-16(7-10-19)13-30-24(34)17-8-11-22-21(12-17)32-25(26(27,28)29)33(22)14-18-4-3-5-20-23(18)37-15-31-20/h3-12,15H,2,13-14H2,1H3,(H,30,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472370
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES OCCS(=O)(=O)N1CCC(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)CC1
Show InChI InChI=1S/C25H25F5N4O6S/c26-24(27,28)23-32-18-12-16(22(36)31-13-15-6-8-33(9-7-15)41(37,38)11-10-35)4-5-19(18)34(23)14-17-2-1-3-20-21(17)40-25(29,30)39-20/h1-5,12,15,35H,6-11,13-14H2,(H,31,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472389
PNG
(US10829481, Compound I-173 | methyl 1-((2,2-difluo...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(=O)OC)cc1
Show InChI InChI=1S/C27H23F2N3O7S/c1-3-40(35,36)19-10-7-16(8-11-19)14-30-25(33)17-9-12-21-20(13-17)31-24(26(34)37-2)32(21)15-18-5-4-6-22-23(18)39-27(28,29)38-22/h4-13H,3,14-15H2,1-2H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472156
PNG
(2-(4-cyanophenyl)-N-(1-((2,2-difluorobenzo[d][1,3]...)
Show SMILES FC(F)(F)c1nc2cc(NC(=O)Cc3ccc(cc3)C#N)ccc2n1Cc1cccc2OC(F)(F)Oc12
Show InChI InChI=1S/C25H15F5N4O3/c26-24(27,28)23-33-18-11-17(32-21(35)10-14-4-6-15(12-31)7-5-14)8-9-19(18)34(23)13-16-2-1-3-20-22(16)37-25(29,30)36-20/h1-9,11H,10,13H2,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472179
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C26H20F5N3O6S/c1-41(37,38)17-8-5-14(6-9-17)19(13-35)32-23(36)15-7-10-20-18(11-15)33-24(25(27,28)29)34(20)12-16-3-2-4-21-22(16)40-26(30,31)39-21/h2-11,19,35H,12-13H2,1H3,(H,32,36)/t19-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472189
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H20F5N3O5S/c1-2-40(36,37)18-9-6-15(7-10-18)13-32-23(35)16-8-11-20-19(12-16)33-24(25(27,28)29)34(20)14-17-4-3-5-21-22(17)39-26(30,31)38-21/h3-12H,2,13-14H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472198
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(CC(C)C)nc3c2)cc1
Show InChI InChI=1S/C29H29F2N3O5S/c1-4-40(36,37)22-11-8-19(9-12-22)16-32-28(35)20-10-13-24-23(15-20)33-26(14-18(2)3)34(24)17-21-6-5-7-25-27(21)39-29(30,31)38-25/h5-13,15,18H,4,14,16-17H2,1-3H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472200
PNG
(2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C27H24F2N4O5S/c1-30-39(35,36)20-10-5-16(6-11-20)14-31-26(34)18-9-12-22-21(13-18)32-25(17-7-8-17)33(22)15-19-3-2-4-23-24(19)38-27(28,29)37-23/h2-6,9-13,17,30H,7-8,14-15H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472207
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(C)(F)F)cc1
Show InChI InChI=1S/C27H23F4N3O5S/c1-3-40(36,37)19-10-7-16(8-11-19)14-32-24(35)17-9-12-21-20(13-17)33-25(26(2,28)29)34(21)15-18-5-4-6-22-23(18)39-27(30,31)38-22/h4-13H,3,14-15H2,1-2H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472228
PNG
(US10829481, Compound I-53 | methyl 2-((4-((1-((2,2...)
Show SMILES COC(=O)CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H20F5N3O7S/c1-40-22(36)14-43(38,39)18-8-5-15(6-9-18)12-33-24(37)16-7-10-20-19(11-16)34-25(26(28,29)30)35(20)13-17-3-2-4-21-23(17)42-27(31,32)41-21/h2-11H,12-14H2,1H3,(H,33,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472239
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)nc1
Show InChI InChI=1S/C25H19F5N4O5S/c1-2-40(36,37)17-8-7-16(31-12-17)11-32-22(35)14-6-9-19-18(10-14)33-23(24(26,27)28)34(19)13-15-4-3-5-20-21(15)39-25(29,30)38-20/h3-10,12H,2,11,13H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472242
PNG
(2-cyclobutyl-1-((2,2-difluorobenzo[d][1,3]dioxol-4...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2CCC2)nc1
Show InChI InChI=1S/C28H26F2N4O5S/c1-2-40(36,37)21-11-10-20(31-15-21)14-32-27(35)18-9-12-23-22(13-18)33-26(17-5-3-6-17)34(23)16-19-7-4-8-24-25(19)39-28(29,30)38-24/h4,7-13,15,17H,2-3,5-6,14,16H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472248
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CS(=O)(=O)N1CCC(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)CC1
Show InChI InChI=1S/C24H23F5N4O5S/c1-39(35,36)32-9-7-14(8-10-32)12-30-21(34)15-5-6-18-17(11-15)31-22(23(25,26)27)33(18)13-16-3-2-4-19-20(16)38-24(28,29)37-19/h2-6,11,14H,7-10,12-13H2,1H3,(H,30,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472259
PNG
((R)-1-(benzo[d][1,3]dioxol-4-ylmethyl)-N-(1-(4-(et...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OCOc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C27H24F3N3O6S/c1-2-40(36,37)19-9-6-16(7-10-19)21(14-34)31-25(35)17-8-11-22-20(12-17)32-26(27(28,29)30)33(22)13-18-4-3-5-23-24(18)39-15-38-23/h3-12,21,34H,2,13-15H2,1H3,(H,31,35)/t21-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472283
PNG
(1-((1H-pyrrolo[2,3-c]pyridin-4-yl)methyl)-N-(4-(et...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cncc5[nH]ccc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H22F3N5O3S/c1-2-38(36,37)19-6-3-16(4-7-19)12-32-24(35)17-5-8-23-21(11-17)33-25(26(27,28)29)34(23)15-18-13-30-14-22-20(18)9-10-31-22/h3-11,13-14,31H,2,12,15H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472293
PNG
(2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-(3- | ...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(OC(F)(F)F)c4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H26F3N3O4S/c1-2-39(36,37)23-11-6-18(7-12-23)16-32-27(35)21-10-13-25-24(15-21)33-26(20-8-9-20)34(25)17-19-4-3-5-22(14-19)38-28(29,30)31/h3-7,10-15,20H,2,8-9,16-17H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472314
PNG
((R)-N-(1-(4-cyanophenyl)-2-hydroxyethyl)-1-((2,2- ...)
Show SMILES OC[C@H](NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H17F5N4O4/c27-25(28,29)24-34-18-10-16(23(37)33-19(13-36)15-6-4-14(11-32)5-7-15)8-9-20(18)35(24)12-17-2-1-3-21-22(17)39-26(30,31)38-21/h1-10,19,36H,12-13H2,(H,33,37)/t19-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472317
PNG
((S)-1-(1-(2,2-difluorobenzo[d][1,3]dioxol-4-yl)eth...)
Show SMILES CCc1nc2cc(ccc2n1[C@@H](C)c1cccc2OC(F)(F)Oc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H27F2N3O5S/c1-4-25-32-22-15-19(27(34)31-16-18-9-12-20(13-10-18)39(35,36)5-2)11-14-23(22)33(25)17(3)21-7-6-8-24-26(21)38-28(29,30)37-24/h6-15,17H,4-5,16H2,1-3H3,(H,31,34)/t17-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472333
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1(F)CC1
Show InChI InChI=1S/C28H25F3N4O6S/c1-2-42(38,39)18-7-8-19(32-13-18)21(15-36)33-25(37)16-6-9-22-20(12-16)34-26(27(29)10-11-27)35(22)14-17-4-3-5-23-24(17)41-28(30,31)40-23/h3-9,12-13,21,36H,2,10-11,14-15H2,1H3,(H,33,37)/t21-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472350
PNG
(2-cyclopropyl-1-((2,3-dihydrobenzo[b][1,4]dioxin-5...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OCCOc45)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C29H29N3O5S/c1-2-38(34,35)23-11-6-19(7-12-23)17-30-29(33)21-10-13-25-24(16-21)31-28(20-8-9-20)32(25)18-22-4-3-5-26-27(22)37-15-14-36-26/h3-7,10-13,16,20H,2,8-9,14-15,17-18H2,1H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472358
PNG
(2-cyclopropyl-1-(2,3-dihydroxybenzyl)-N-(4-(ethyls...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(O)c4O)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C27H27N3O5S/c1-2-36(34,35)21-11-6-17(7-12-21)15-28-27(33)19-10-13-23-22(14-19)29-26(18-8-9-18)30(23)16-20-4-3-5-24(31)25(20)32/h3-7,10-14,18,31-32H,2,8-9,15-16H2,1H3,(H,28,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472390
PNG
(US10829481, Compound I-174)
Show SMILES CCS(=O)(=O)c1ccc(cc1)C(CO)(CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C28H24F5N3O7S/c1-2-44(40,41)19-9-7-18(8-10-19)26(14-37,15-38)35-24(39)16-6-11-21-20(12-16)34-25(27(29,30)31)36(21)13-17-4-3-5-22-23(17)43-28(32,33)42-22/h3-12,37-38H,2,13-15H2,1H3,(H,35,39)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472154
PNG
(N-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl...)
Show SMILES COCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H22F5N3O6S/c1-39-11-12-42(37,38)19-8-5-16(6-9-19)13-23(36)33-18-7-10-21-20(14-18)34-25(26(28,29)30)35(21)15-17-3-2-4-22-24(17)41-27(31,32)40-22/h2-10,14H,11-13,15H2,1H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472168
PNG
((S)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C27H22F5N3O6S/c1-2-42(38,39)18-9-6-15(7-10-18)20(14-36)33-24(37)16-8-11-21-19(12-16)34-25(26(28,29)30)35(21)13-17-4-3-5-22-23(17)41-27(31,32)40-22/h3-12,20,36H,2,13-14H2,1H3,(H,33,37)/t20-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472169
PNG
((R)-2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dio...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1CC1
Show InChI InChI=1S/C29H27F2N3O6S/c1-2-41(37,38)21-11-8-17(9-12-21)23(16-35)33-28(36)19-10-13-24-22(14-19)32-27(18-6-7-18)34(24)15-20-4-3-5-25-26(20)40-29(30,31)39-25/h3-5,8-14,18,23,35H,2,6-7,15-16H2,1H3,(H,33,36)/t23-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472173
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)[C@H]1CCCO1
Show InChI InChI=1S/C30H29F2N3O7S/c1-2-43(38,39)21-11-8-18(9-12-21)23(17-36)34-29(37)19-10-13-24-22(15-19)33-28(26-7-4-14-40-26)35(24)16-20-5-3-6-25-27(20)42-30(31,32)41-25/h3,5-6,8-13,15,23,26,36H,2,4,7,14,16-17H2,1H3,(H,34,37)/t23-,26+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472190
PNG
(2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H25F2N3O5S/c1-2-39(35,36)21-11-6-17(7-12-21)15-31-27(34)19-10-13-23-22(14-19)32-26(18-8-9-18)33(23)16-20-4-3-5-24-25(20)38-28(29,30)37-24/h3-7,10-14,18H,2,8-9,15-16H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472193
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES CCc1nc2cc(ccc2n1Cc1cccc2OC(F)(F)Oc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C27H25F2N3O5S/c1-3-24-31-21-14-18(26(33)30-15-17-8-11-20(12-9-17)38(34,35)4-2)10-13-22(21)32(24)16-19-6-5-7-23-25(19)37-27(28,29)36-23/h5-14H,3-4,15-16H2,1-2H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472216
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2(F)CCC2)cc1
Show InChI InChI=1S/C29H26F3N3O5S/c1-2-41(37,38)21-10-7-18(8-11-21)16-33-26(36)19-9-12-23-22(15-19)34-27(28(30)13-4-14-28)35(23)17-20-5-3-6-24-25(20)40-29(31,32)39-24/h3,5-12,15H,2,4,13-14,16-17H2,1H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472220
PNG
(2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES OCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H25F2N3O6S/c29-28(30)38-24-3-1-2-20(25(24)39-28)16-33-23-11-8-19(14-22(23)32-26(33)18-6-7-18)27(35)31-15-17-4-9-21(10-5-17)40(36,37)13-12-34/h1-5,8-11,14,18,34H,6-7,12-13,15-16H2,(H,31,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472236
PNG
((R)-2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dio...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1CC1
Show InChI InChI=1S/C30H29F2N3O6S/c1-3-42(37,38)22-12-9-18(10-13-22)24(17-39-2)34-29(36)20-11-14-25-23(15-20)33-28(19-7-8-19)35(25)16-21-5-4-6-26-27(21)41-30(31,32)40-26/h4-6,9-15,19,24H,3,7-8,16-17H2,1-2H3,(H,34,36)/t24-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472240
PNG
(2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2CC2)nc1
Show InChI InChI=1S/C27H24F2N4O5S/c1-2-39(35,36)20-10-9-19(30-14-20)13-31-26(34)17-8-11-22-21(12-17)32-25(16-6-7-16)33(22)15-18-4-3-5-23-24(18)38-27(28,29)37-23/h3-5,8-12,14,16H,2,6-7,13,15H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472249
PNG
(2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CS(=O)(=O)N1CCC(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2CC2)CC1
Show InChI InChI=1S/C26H28F2N4O5S/c1-38(34,35)31-11-9-16(10-12-31)14-29-25(33)18-7-8-21-20(13-18)30-24(17-5-6-17)32(21)15-19-3-2-4-22-23(19)37-26(27,28)36-22/h2-4,7-8,13,16-17H,5-6,9-12,14-15H2,1H3,(H,29,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472275
PNG
((S)-1-(1-(3-cyanophenyl)ethyl)-N-(4-(ethylsulfonyl...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n([C@H](C)c4cccc(c4)C#N)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N4O3S/c1-3-38(36,37)22-10-7-18(8-11-22)16-32-25(35)21-9-12-24-23(14-21)33-26(27(28,29)30)34(24)17(2)20-6-4-5-19(13-20)15-31/h4-14,17H,3,16H2,1-2H3,(H,32,35)/t17-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472302
PNG
(2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-(3-met...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cc(OC)cc(OC(F)(F)F)c4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C29H28F3N3O5S/c1-3-41(37,38)24-9-4-18(5-10-24)16-33-28(36)21-8-11-26-25(14-21)34-27(20-6-7-20)35(26)17-19-12-22(39-2)15-23(13-19)40-29(30,31)32/h4-5,8-15,20H,3,6-7,16-17H2,1-2H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472315
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)c(F)c1
Show InChI InChI=1S/C27H21F6N3O6S/c1-2-43(39,40)16-7-8-17(18(28)11-16)20(13-37)34-24(38)14-6-9-21-19(10-14)35-25(26(29,30)31)36(21)12-15-4-3-5-22-23(15)42-27(32,33)41-22/h3-11,20,37H,2,12-13H2,1H3,(H,34,38)/t20-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472316
PNG
(1-(3,5-dimethoxybenzyl)-N-(4-((2-hydroxyethyl)sulf...)
Show SMILES COc1cc(Cn2c(nc3cc(ccc23)C(=O)NCc2ccc(cc2)S(=O)(=O)CCO)C(F)(F)F)cc(OC)c1
Show InChI InChI=1S/C27H26F3N3O6S/c1-38-20-11-18(12-21(14-20)39-2)16-33-24-8-5-19(13-23(24)32-26(33)27(28,29)30)25(35)31-15-17-3-6-22(7-4-17)40(36,37)10-9-34/h3-8,11-14,34H,9-10,15-16H2,1-2H3,(H,31,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472332
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1(F)CC1
Show InChI InChI=1S/C28H25F3N4O6S/c1-2-42(38,39)18-7-8-19(32-13-18)21(15-36)33-25(37)16-6-9-22-20(12-16)34-26(27(29)10-11-27)35(22)14-17-4-3-5-23-24(17)41-28(30,31)40-23/h3-9,12-13,21,36H,2,10-11,14-15H2,1H3,(H,33,37)/t21-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472357
PNG
(2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-(3-hyd...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cc(O)cc(OC(F)(F)F)c4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H26F3N3O5S/c1-2-40(37,38)23-8-3-17(4-9-23)15-32-27(36)20-7-10-25-24(13-20)33-26(19-5-6-19)34(25)16-18-11-21(35)14-22(12-18)39-28(29,30)31/h3-4,7-14,19,35H,2,5-6,15-16H2,1H3,(H,32,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472155
PNG
(N-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl...)
Show SMILES CNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F5N4O5S/c1-31-40(36,37)17-8-5-14(6-9-17)11-21(35)32-16-7-10-19-18(12-16)33-23(24(26,27)28)34(19)13-15-3-2-4-20-22(15)39-25(29,30)38-20/h2-10,12,31H,11,13H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472178
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1(F)CCC1
Show InChI InChI=1S/C30H28F3N3O6S/c1-2-43(39,40)21-10-7-18(8-11-21)23(17-37)34-27(38)19-9-12-24-22(15-19)35-28(29(31)13-4-14-29)36(24)16-20-5-3-6-25-26(20)42-30(32,33)41-25/h3,5-12,15,23,37H,2,4,13-14,16-17H2,1H3,(H,34,38)/t23-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472186
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)F
Show InChI InChI=1S/C26H21F4N3O6S/c1-40(36,37)17-8-5-14(6-9-17)19(13-34)32-25(35)15-7-10-20-18(11-15)31-24(23(27)28)33(20)12-16-3-2-4-21-22(16)39-26(29,30)38-21/h2-11,19,23,34H,12-13H2,1H3,(H,32,35)/t19-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472205
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)F)cc1
Show InChI InChI=1S/C26H21F4N3O5S/c1-2-39(35,36)18-9-6-15(7-10-18)13-31-25(34)16-8-11-20-19(12-16)32-24(23(27)28)33(20)14-17-4-3-5-21-22(17)38-26(29,30)37-21/h3-12,23H,2,13-14H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472212
PNG
(US10829481, Compound I-39.2)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)[C@@H]2CCCO2)cc1
Show InChI InChI=1S/C29H27F2N3O6S/c1-2-41(36,37)21-11-8-18(9-12-21)16-32-28(35)19-10-13-23-22(15-19)33-27(25-7-4-14-38-25)34(23)17-20-5-3-6-24-26(20)40-29(30,31)39-24/h3,5-6,8-13,15,25H,2,4,7,14,16-17H2,1H3,(H,32,35)/t25-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472221
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H18F5N3O5S/c1-39(35,36)17-8-5-14(6-9-17)12-31-22(34)15-7-10-19-18(11-15)32-23(24(26,27)28)33(19)13-16-3-2-4-20-21(16)38-25(29,30)37-20/h2-11H,12-13H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472237
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1(F)CC1
Show InChI InChI=1S/C30H28F3N3O6S/c1-3-43(38,39)21-10-7-18(8-11-21)23(17-40-2)34-27(37)19-9-12-24-22(15-19)35-28(29(31)13-14-29)36(24)16-20-5-4-6-25-26(20)42-30(32,33)41-25/h4-12,15,23H,3,13-14,16-17H2,1-2H3,(H,34,37)/t23-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472245
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2(F)CC2)nc1
Show InChI InChI=1S/C26H21F3N4O5S/c1-39(35,36)18-7-6-17(30-13-18)12-31-23(34)15-5-8-20-19(11-15)32-24(25(27)9-10-25)33(20)14-16-3-2-4-21-22(16)38-26(28,29)37-21/h2-8,11,13H,9-10,12,14H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472247
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)nc1
Show InChI InChI=1S/C24H17F5N4O5S/c1-39(35,36)16-7-6-15(30-11-16)10-31-21(34)13-5-8-18-17(9-13)32-22(23(25,26)27)33(18)12-14-3-2-4-19-20(14)38-24(28,29)37-19/h2-9,11H,10,12H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472253
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CNC(=O)CS(=O)(=O)N1CCC(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)CC1
Show InChI InChI=1S/C26H26F5N5O6S/c1-32-21(37)14-43(39,40)35-9-7-15(8-10-35)12-33-23(38)16-5-6-19-18(11-16)34-24(25(27,28)29)36(19)13-17-3-2-4-20-22(17)42-26(30,31)41-20/h2-6,11,15H,7-10,12-14H2,1H3,(H,32,37)(H,33,38)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472256
PNG
(N-((1-((2-amino-2-oxoethyl)sulfonyl)piperidin-4-yl...)
Show SMILES NC(=O)CS(=O)(=O)N1CCC(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)CC1
Show InChI InChI=1S/C25H24F5N5O6S/c26-24(27,28)23-33-17-10-15(22(37)32-11-14-6-8-34(9-7-14)42(38,39)13-20(31)36)4-5-18(17)35(23)12-16-2-1-3-19-21(16)41-25(29,30)40-19/h1-5,10,14H,6-9,11-13H2,(H2,31,36)(H,32,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472260
PNG
(1-(3,5-dimethoxybenzyl)-N-(4-(ethylsulfonyl)benzyl...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cc(OC)cc(OC)c4)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H26F3N3O5S/c1-4-39(35,36)22-8-5-17(6-9-22)15-31-25(34)19-7-10-24-23(13-19)32-26(27(28,29)30)33(24)16-18-11-20(37-2)14-21(12-18)38-3/h5-14H,4,15-16H2,1-3H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472274
PNG
((S)-1-(1-(3-cyanophenyl)ethyl)-N-(4-(ethylsulfonyl...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n([C@@H](C)c4cccc(c4)C#N)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N4O3S/c1-3-38(36,37)22-10-7-18(8-11-22)16-32-25(35)21-9-12-24-23(14-21)33-26(27(28,29)30)34(24)17(2)20-6-4-5-19(13-20)15-31/h4-14,17H,3,16H2,1-2H3,(H,32,35)/t17-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472287
PNG
(2-cyclopropyl-1-(3,5-dimethoxybenzyl)-N-(4-(ethyls...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cc(OC)cc(OC)c4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C29H31N3O5S/c1-4-38(34,35)25-10-5-19(6-11-25)17-30-29(33)22-9-12-27-26(15-22)31-28(21-7-8-21)32(27)18-20-13-23(36-2)16-24(14-20)37-3/h5-6,9-16,21H,4,7-8,17-18H2,1-3H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472290
PNG
(2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-(2- | ...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4ccccc4OC(F)(F)F)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H26F3N3O4S/c1-2-39(36,37)22-12-7-18(8-13-22)16-32-27(35)20-11-14-24-23(15-20)33-26(19-9-10-19)34(24)17-21-5-3-4-6-25(21)38-28(29,30)31/h3-8,11-15,19H,2,9-10,16-17H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472330
PNG
((R)-2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dio...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1CC1
Show InChI InChI=1S/C28H26F2N4O6S/c1-2-41(37,38)19-9-10-20(31-13-19)22(15-35)33-27(36)17-8-11-23-21(12-17)32-26(16-6-7-16)34(23)14-18-4-3-5-24-25(18)40-28(29,30)39-24/h3-5,8-13,16,22,35H,2,6-7,14-15H2,1H3,(H,33,36)/t22-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472363
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((1-(5-fluoropyrimid...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC4CCN(CC4)c4ncc(F)cn4)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H28F4N6O3S/c1-2-42(40,41)22-6-3-18(4-7-22)14-33-25(39)20-5-8-24-23(13-20)36-26(28(30,31)32)38(24)17-19-9-11-37(12-10-19)27-34-15-21(29)16-35-27/h3-8,13,15-16,19H,2,9-12,14,17H2,1H3,(H,33,39)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472366
PNG
(2-((1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)[n+]([O-])c1
Show InChI InChI=1S/C25H19F5N4O6S/c1-2-41(37,38)17-8-7-16(34(36)13-17)11-31-22(35)14-6-9-19-18(10-14)32-23(24(26,27)28)33(19)12-15-4-3-5-20-21(15)40-25(29,30)39-20/h3-10,13H,2,11-12H2,1H3,(H,31,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472375
PNG
((S)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CC(=O)NC)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C29H25F5N4O6S/c1-3-45(41,42)19-10-7-16(8-11-19)20(14-24(39)35-2)36-26(40)17-9-12-22-21(13-17)37-27(28(30,31)32)38(22)15-18-5-4-6-23-25(18)44-29(33,34)43-23/h4-13,20H,3,14-15H2,1-2H3,(H,35,39)(H,36,40)/t20-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472151
PNG
(N-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl...)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H20F5N3O5S/c1-2-40(36,37)18-9-6-15(7-10-18)12-22(35)32-17-8-11-20-19(13-17)33-24(25(27,28)29)34(20)14-16-4-3-5-21-23(16)39-26(30,31)38-21/h3-11,13H,2,12,14H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472159
PNG
(N-(2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]diox...)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H25F2N3O5S/c1-2-39(35,36)21-11-6-17(7-12-21)14-25(34)31-20-10-13-23-22(15-20)32-27(18-8-9-18)33(23)16-19-4-3-5-24-26(19)38-28(29,30)37-24/h3-7,10-13,15,18H,2,8-9,14,16H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472160
PNG
(N-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl...)
Show SMILES CS(=O)(=O)N1CCC(CC(=O)Nc2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)CC1
Show InChI InChI=1S/C24H23F5N4O5S/c1-39(35,36)32-9-7-14(8-10-32)11-20(34)30-16-5-6-18-17(12-16)31-22(23(25,26)27)33(18)13-15-3-2-4-19-21(15)38-24(28,29)37-19/h2-6,12,14H,7-11,13H2,1H3,(H,30,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472175
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCc1nc2cc(ccc2n1Cc1cccc2OC(F)(F)Oc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H27F2N3O6S/c1-3-25-31-21-14-18(27(35)32-22(16-34)17-8-11-20(12-9-17)40(36,37)4-2)10-13-23(21)33(25)15-19-6-5-7-24-26(19)39-28(29,30)38-24/h5-14,22,34H,3-4,15-16H2,1-2H3,(H,32,35)/t22-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472176
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)F
Show InChI InChI=1S/C27H23F4N3O6S/c1-2-41(37,38)18-9-6-15(7-10-18)20(14-35)33-26(36)16-8-11-21-19(12-16)32-25(24(28)29)34(21)13-17-4-3-5-22-23(17)40-27(30,31)39-22/h3-12,20,24,35H,2,13-14H2,1H3,(H,33,36)/t20-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472183
PNG
((R)-2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dio...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1CC1
Show InChI InChI=1S/C28H25F2N3O6S/c1-40(36,37)20-10-7-16(8-11-20)22(15-34)32-27(35)18-9-12-23-21(13-18)31-26(17-5-6-17)33(23)14-19-3-2-4-24-25(19)39-28(29,30)38-24/h2-4,7-13,17,22,34H,5-6,14-15H2,1H3,(H,32,35)/t22-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472192
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(COC)nc3c2)cc1
Show InChI InChI=1S/C27H25F2N3O6S/c1-3-39(34,35)20-10-7-17(8-11-20)14-30-26(33)18-9-12-22-21(13-18)31-24(16-36-2)32(22)15-19-5-4-6-23-25(19)38-27(28,29)37-23/h4-13H,3,14-16H2,1-2H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472196
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(C)nc3c2)cc1
Show InChI InChI=1S/C26H23F2N3O5S/c1-3-37(33,34)20-10-7-17(8-11-20)14-29-25(32)18-9-12-22-21(13-18)30-16(2)31(22)15-19-5-4-6-23-24(19)36-26(27,28)35-23/h4-13H,3,14-15H2,1-2H3,(H,29,32)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472211
PNG
(US10829481, Compound I-39.1)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)[C@H]2CCCO2)cc1
Show InChI InChI=1S/C29H27F2N3O6S/c1-2-41(36,37)21-11-8-18(9-12-21)16-32-28(35)19-10-13-23-22(15-19)33-27(25-7-4-14-38-25)34(23)17-20-5-3-6-24-26(20)40-29(30,31)39-24/h3,5-6,8-13,15,25H,2,4,7,14,16-17H2,1H3,(H,32,35)/t25-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472224
PNG
((S)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)[C@@H](C)OC)cc1
Show InChI InChI=1S/C28H27F2N3O6S/c1-4-40(35,36)21-11-8-18(9-12-21)15-31-27(34)19-10-13-23-22(14-19)32-26(17(2)37-3)33(23)16-20-6-5-7-24-25(20)39-28(29,30)38-24/h5-14,17H,4,15-16H2,1-3H3,(H,31,34)/t17-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472235
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COC)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C28H24F5N3O6S/c1-3-43(38,39)19-10-7-16(8-11-19)21(15-40-2)34-25(37)17-9-12-22-20(13-17)35-26(27(29,30)31)36(22)14-18-5-4-6-23-24(18)42-28(32,33)41-23/h4-13,21H,3,14-15H2,1-2H3,(H,34,37)/t21-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472244
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2(F)CC2)nc1
Show InChI InChI=1S/C27H23F3N4O5S/c1-2-40(36,37)19-8-7-18(31-14-19)13-32-24(35)16-6-9-21-20(12-16)33-25(26(28)10-11-26)34(21)15-17-4-3-5-22-23(17)39-27(29,30)38-22/h3-9,12,14H,2,10-11,13,15H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472257
PNG
(2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CNC(=O)CS(=O)(=O)N1CCC(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2CC2)CC1
Show InChI InChI=1S/C28H31F2N5O6S/c1-31-24(36)16-42(38,39)34-11-9-17(10-12-34)14-32-27(37)19-7-8-22-21(13-19)33-26(18-5-6-18)35(22)15-20-3-2-4-23-25(20)41-28(29,30)40-23/h2-4,7-8,13,17-18H,5-6,9-12,14-16H2,1H3,(H,31,36)(H,32,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472270
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((2-methoxypyridin-4...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4ccnc(OC)c4)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3N4O4S/c1-3-37(34,35)19-7-4-16(5-8-19)14-30-23(33)18-6-9-21-20(13-18)31-24(25(26,27)28)32(21)15-17-10-11-29-22(12-17)36-2/h4-13H,3,14-15H2,1-2H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472280
PNG
(1-(benzo[d][1,3]dioxol-4-ylmethyl)-N-(4-(ethylsulf...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OCOc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H22F3N3O5S/c1-2-38(34,35)19-9-6-16(7-10-19)13-30-24(33)17-8-11-21-20(12-17)31-25(26(27,28)29)32(21)14-18-4-3-5-22-23(18)37-15-36-22/h3-12H,2,13-15H2,1H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472282
PNG
(US10829481, Compound I-99 | methyl 3-((5-((4-(ethy...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(c4)C(=O)OC)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N3O5S/c1-3-39(36,37)21-10-7-17(8-11-21)15-31-24(34)19-9-12-23-22(14-19)32-26(27(28,29)30)33(23)16-18-5-4-6-20(13-18)25(35)38-2/h4-14H,3,15-16H2,1-2H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472319
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)c(O)c1
Show InChI InChI=1S/C26H20F5N3O6S/c1-2-41(37,38)17-8-6-15(20(35)11-17)12-32-23(36)14-7-9-19-18(10-14)33-24(25(27,28)29)34(19)13-16-4-3-5-21-22(16)40-26(30,31)39-21/h3-11,35H,2,12-13H2,1H3,(H,32,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472321
PNG
(1-(3,5-dimethoxybenzyl)-N-((5-(ethylsulfonyl)pyrid...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cc(OC)cc(OC)c4)c(nc3c2)C(F)(F)F)nc1
Show InChI InChI=1S/C26H25F3N4O5S/c1-4-39(35,36)21-7-6-18(30-14-21)13-31-24(34)17-5-8-23-22(11-17)32-25(26(27,28)29)33(23)15-16-9-19(37-2)12-20(10-16)38-3/h5-12,14H,4,13,15H2,1-3H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472326
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)F
Show InChI InChI=1S/C26H22F4N4O6S/c1-2-41(37,38)16-7-8-17(31-11-16)19(13-35)33-25(36)14-6-9-20-18(10-14)32-24(23(27)28)34(20)12-15-4-3-5-21-22(15)40-26(29,30)39-21/h3-11,19,23,35H,2,12-13H2,1H3,(H,33,36)/t19-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472353
PNG
(1-(benzo[c][1,2,5]oxadiazol-4-ylmethyl)-N-(4-(ethy...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5nonc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H20F3N5O4S/c1-2-38(35,36)18-9-6-15(7-10-18)13-29-23(34)16-8-11-21-20(12-16)30-24(25(26,27)28)33(21)14-17-4-3-5-19-22(17)32-37-31-19/h3-12H,2,13-14H2,1H3,(H,29,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472368
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)N(C)C)cc1
Show InChI InChI=1S/C27H26F2N4O5S/c1-4-39(35,36)20-11-8-17(9-12-20)15-30-25(34)18-10-13-22-21(14-18)31-26(32(2)3)33(22)16-19-6-5-7-23-24(19)38-27(28,29)37-23/h5-14H,4,15-16H2,1-3H3,(H,30,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472372
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CS(=O)(=O)N1CCC(CC1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C25H25F5N4O6S/c1-41(37,38)33-9-7-14(8-10-33)18(13-35)31-22(36)15-5-6-19-17(11-15)32-23(24(26,27)28)34(19)12-16-3-2-4-20-21(16)40-25(29,30)39-20/h2-6,11,14,18,35H,7-10,12-13H2,1H3,(H,31,36)/t18-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472386
PNG
(N-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@@H](O)C(=O)Nc1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C26H20F5N3O6S/c1-2-41(37,38)17-9-6-14(7-10-17)21(35)23(36)32-16-8-11-19-18(12-16)33-24(25(27,28)29)34(19)13-15-4-3-5-20-22(15)40-26(30,31)39-20/h3-12,21,35H,2,13H2,1H3,(H,32,36)/t21-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472171
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(C)(F)F
Show InChI InChI=1S/C28H25F4N3O6S/c1-3-42(38,39)19-10-7-16(8-11-19)21(15-36)33-25(37)17-9-12-22-20(13-17)34-26(27(2,29)30)35(22)14-18-5-4-6-23-24(18)41-28(31,32)40-23/h4-13,21,36H,3,14-15H2,1-2H3,(H,33,37)/t21-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472187
PNG
((S)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)F
Show InChI InChI=1S/C26H21F4N3O6S/c1-40(36,37)17-8-5-14(6-9-17)19(13-34)32-25(35)15-7-10-20-18(11-15)31-24(23(27)28)33(20)12-16-3-2-4-21-22(16)39-26(29,30)38-21/h2-11,19,23,34H,12-13H2,1H3,(H,32,35)/t19-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472188
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1(F)CC1
Show InChI InChI=1S/C28H24F3N3O6S/c1-41(37,38)19-8-5-16(6-9-19)21(15-35)32-25(36)17-7-10-22-20(13-17)33-26(27(29)11-12-27)34(22)14-18-3-2-4-23-24(18)40-28(30,31)39-23/h2-10,13,21,35H,11-12,14-15H2,1H3,(H,32,36)/t21-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472191
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2(F)CC2)cc1
Show InChI InChI=1S/C28H24F3N3O5S/c1-2-40(36,37)20-9-6-17(7-10-20)15-32-25(35)18-8-11-22-21(14-18)33-26(27(29)12-13-27)34(22)16-19-4-3-5-23-24(19)39-28(30,31)38-23/h3-11,14H,2,12-13,15-16H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472195
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(C)C)cc1
Show InChI InChI=1S/C28H27F2N3O5S/c1-4-39(35,36)21-11-8-18(9-12-21)15-31-27(34)19-10-13-23-22(14-19)32-26(17(2)3)33(23)16-20-6-5-7-24-25(20)38-28(29,30)37-24/h5-14,17H,4,15-16H2,1-3H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472199
PNG
(2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C27H23F2N3O5S/c1-38(34,35)20-10-5-16(6-11-20)14-30-26(33)18-9-12-22-21(13-18)31-25(17-7-8-17)32(22)15-19-3-2-4-23-24(19)37-27(28,29)36-23/h2-6,9-13,17H,7-8,14-15H2,1H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472214
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES OCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2(F)CC2)cc1
Show InChI InChI=1S/C28H24F3N3O6S/c29-27(10-11-27)26-33-21-14-18(25(36)32-15-17-4-7-20(8-5-17)41(37,38)13-12-35)6-9-22(21)34(26)16-19-2-1-3-23-24(19)40-28(30,31)39-23/h1-9,14,35H,10-13,15-16H2,(H,32,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472219
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F5N4O5S/c1-31-40(36,37)17-8-5-14(6-9-17)12-32-22(35)15-7-10-19-18(11-15)33-23(24(26,27)28)34(19)13-16-3-2-4-20-21(16)39-25(29,30)38-20/h2-11,31H,12-13H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472255
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CNS(=O)(=O)N1CCC(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)CC1
Show InChI InChI=1S/C24H24F5N5O5S/c1-30-40(36,37)33-9-7-14(8-10-33)12-31-21(35)15-5-6-18-17(11-15)32-22(23(25,26)27)34(18)13-16-3-2-4-19-20(16)39-24(28,29)38-19/h2-6,11,14,30H,7-10,12-13H2,1H3,(H,31,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472261
PNG
(1-(3-cyano-4-methoxybenzyl)-N-(4-(ethylsulfonyl)be...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4ccc(OC)c(c4)C#N)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N4O4S/c1-3-39(36,37)21-8-4-17(5-9-21)15-32-25(35)19-7-10-23-22(13-19)33-26(27(28,29)30)34(23)16-18-6-11-24(38-2)20(12-18)14-31/h4-13H,3,15-16H2,1-2H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472263
PNG
(1-(4-cyanobenzyl)-N-(4-(ethylsulfonyl)benzyl)-2-(t...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4ccc(cc4)C#N)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N4O3S/c1-2-37(35,36)21-10-7-18(8-11-21)15-31-24(34)20-9-12-23-22(13-20)32-25(26(27,28)29)33(23)16-19-5-3-17(14-30)4-6-19/h3-13H,2,15-16H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472273
PNG
(1-(1-(3-cyanophenyl)cyclopropyl)-N-(4-(ethylsulfon...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(c(nc3c2)C(F)(F)F)C2(CC2)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C28H23F3N4O3S/c1-2-39(37,38)22-9-6-18(7-10-22)17-33-25(36)20-8-11-24-23(15-20)34-26(28(29,30)31)35(24)27(12-13-27)21-5-3-4-19(14-21)16-32/h3-11,14-15H,2,12-13,17H2,1H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472277
PNG
(1-(benzofuran-4-ylmethyl)-N-(4-(ethylsulfonyl)benz...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5occc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H22F3N3O4S/c1-2-38(35,36)20-9-6-17(7-10-20)15-31-25(34)18-8-11-23-22(14-18)32-26(27(28,29)30)33(23)16-19-4-3-5-24-21(19)12-13-37-24/h3-14H,2,15-16H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472297
PNG
(2-cyclopropyl-1-(3-(difluoromethoxy)benzyl)-N-(4- ...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(OC(F)F)c4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H27F2N3O4S/c1-2-38(35,36)23-11-6-18(7-12-23)16-31-27(34)21-10-13-25-24(15-21)32-26(20-8-9-20)33(25)17-19-4-3-5-22(14-19)37-28(29)30/h3-7,10-15,20,28H,2,8-9,16-17H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472307
PNG
(2-cyclopropyl-1-((2,2-dimethyl-2,3-dihydrobenzofur...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5CC(C)(C)Oc45)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C31H33N3O4S/c1-4-39(36,37)25-13-8-20(9-14-25)18-32-30(35)22-12-15-27-26(16-22)33-29(21-10-11-21)34(27)19-24-7-5-6-23-17-31(2,3)38-28(23)24/h5-9,12-16,21H,4,10-11,17-19H2,1-3H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472318
PNG
((R)-1-(1-(2,2-difluorobenzo[d][1,3]dioxol-4-yl)eth...)
Show SMILES CCc1nc2cc(ccc2n1[C@H](C)c1cccc2OC(F)(F)Oc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC
Show InChI InChI=1S/C28H27F2N3O5S/c1-4-25-32-22-15-19(27(34)31-16-18-9-12-20(13-10-18)39(35,36)5-2)11-14-23(22)33(25)17(3)21-7-6-8-24-26(21)38-28(29,30)37-24/h6-15,17H,4-5,16H2,1-3H3,(H,31,34)/t17-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472327
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)F
Show InChI InChI=1S/C26H22F4N4O6S/c1-2-41(37,38)16-7-8-17(31-11-16)19(13-35)33-25(36)14-6-9-20-18(10-14)32-24(23(27)28)34(20)12-15-4-3-5-21-22(15)40-26(29,30)39-21/h3-11,19,23,35H,2,12-13H2,1H3,(H,33,36)/t19-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472329
PNG
((R)-2-cyclobutyl-1-((2,2-difluorobenzo[d][1,3]diox...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1CCC1
Show InChI InChI=1S/C29H28F2N4O6S/c1-2-42(38,39)20-10-11-21(32-14-20)23(16-36)34-28(37)18-9-12-24-22(13-18)33-27(17-5-3-6-17)35(24)15-19-7-4-8-25-26(19)41-29(30,31)40-25/h4,7-14,17,23,36H,2-3,5-6,15-16H2,1H3,(H,34,37)/t23-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472336
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((1-methyl-1H-indazo...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5cnn(C)c45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N5O3S/c1-3-39(37,38)21-10-7-17(8-11-21)14-31-25(36)18-9-12-23-22(13-18)33-26(27(28,29)30)35(23)16-20-6-4-5-19-15-32-34(2)24(19)20/h4-13,15H,3,14,16H2,1-2H3,(H,31,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472351
PNG
((R)-2-cyclopropyl-1-(1-(2,2-difluorobenzo[d][1,3]d...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n([C@H](C)c4cccc5OC(F)(F)Oc45)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C29H27F2N3O5S/c1-3-40(36,37)21-12-7-18(8-13-21)16-32-28(35)20-11-14-24-23(15-20)33-27(19-9-10-19)34(24)17(2)22-5-4-6-25-26(22)39-29(30,31)38-25/h4-8,11-15,17,19H,3,9-10,16H2,1-2H3,(H,32,35)/t17-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472374
PNG
((R)-2-(2-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](COCC(O)=O)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C29H24F5N3O8S/c1-2-46(41,42)19-9-6-16(7-10-19)21(14-43-15-24(38)39)35-26(40)17-8-11-22-20(12-17)36-27(28(30,31)32)37(22)13-18-4-3-5-23-25(18)45-29(33,34)44-23/h3-12,21H,2,13-15H2,1H3,(H,35,40)(H,38,39)/t21-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472376
PNG
((S)-N-(3-amino-1-(4-(ethylsulfonyl)phenyl)-3-oxopr...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CC(N)=O)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C28H23F5N4O6S/c1-2-44(40,41)18-9-6-15(7-10-18)19(13-23(34)38)35-25(39)16-8-11-21-20(12-16)36-26(27(29,30)31)37(21)14-17-4-3-5-22-24(17)43-28(32,33)42-22/h3-12,19H,2,13-14H2,1H3,(H2,34,38)(H,35,39)/t19-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472379
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CNC(=O)CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H21F5N4O6S/c1-33-22(37)14-43(39,40)18-8-5-15(6-9-18)12-34-24(38)16-7-10-20-19(11-16)35-25(26(28,29)30)36(20)13-17-3-2-4-21-23(17)42-27(31,32)41-21/h2-11H,12-14H2,1H3,(H,33,37)(H,34,38)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472383
PNG
(N-(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)C(O)C(=O)Nc1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C26H20F5N3O6S/c1-2-41(37,38)17-9-6-14(7-10-17)21(35)23(36)32-16-8-11-19-18(12-16)33-24(25(27,28)29)34(19)13-15-4-3-5-20-22(15)40-26(30,31)39-20/h3-12,21,35H,2,13H2,1H3,(H,32,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472170
PNG
((R)-2-cyclobutyl-1-((2,2-difluorobenzo[d][1,3]diox...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1CCC1
Show InChI InChI=1S/C30H29F2N3O6S/c1-2-42(38,39)22-12-9-18(10-13-22)24(17-36)34-29(37)20-11-14-25-23(15-20)33-28(19-5-3-6-19)35(25)16-21-7-4-8-26-27(21)41-30(31,32)40-26/h4,7-15,19,24,36H,2-3,5-6,16-17H2,1H3,(H,34,37)/t24-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472202
PNG
(2-cyclobutyl-1-((2,2-difluorobenzo[d][1,3]dioxol-4...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2CCC2)cc1
Show InChI InChI=1S/C29H27F2N3O5S/c1-2-40(36,37)22-12-9-18(10-13-22)16-32-28(35)20-11-14-24-23(15-20)33-27(19-5-3-6-19)34(24)17-21-7-4-8-25-26(21)39-29(30,31)38-25/h4,7-15,19H,2-3,5-6,16-17H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472218
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES OCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H20F5N3O6S/c27-25(28,29)24-33-19-12-16(23(36)32-13-15-4-7-18(8-5-15)41(37,38)11-10-35)6-9-20(19)34(24)14-17-2-1-3-21-22(17)40-26(30,31)39-21/h1-9,12,35H,10-11,13-14H2,(H,32,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472226
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H17F5N4O5S/c25-23(26,27)22-32-17-10-14(21(34)31-11-13-4-7-16(8-5-13)39(30,35)36)6-9-18(17)33(22)12-15-2-1-3-19-20(15)38-24(28,29)37-19/h1-10H,11-12H2,(H,31,34)(H2,30,35,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472234
PNG
(US10829481, Compound I-58 | methyl(1R,2R)-2-(1-((2...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)[C@@H]2C[C@H]2C(=O)OC)cc1
Show InChI InChI=1S/C30H27F2N3O7S/c1-3-43(38,39)20-10-7-17(8-11-20)15-33-28(36)18-9-12-24-23(13-18)34-27(21-14-22(21)29(37)40-2)35(24)16-19-5-4-6-25-26(19)42-30(31,32)41-25/h4-13,21-22H,3,14-16H2,1-2H3,(H,33,36)/t21-,22-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472246
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2(F)CCC2)nc1
Show InChI InChI=1S/C28H25F3N4O5S/c1-2-41(37,38)20-9-8-19(32-15-20)14-33-25(36)17-7-10-22-21(13-17)34-26(27(29)11-4-12-27)35(22)16-18-5-3-6-23-24(18)40-28(30,31)39-23/h3,5-10,13,15H,2,4,11-12,14,16H2,1H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472254
PNG
(US10829481, Compound I-76 | methyl 2-(1-((2,2-difl...)
Show SMILES COC(=O)C(NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C26H25F5N4O7S/c1-40-23(37)20(14-8-10-34(11-9-14)43(2,38)39)33-22(36)15-6-7-18-17(12-15)32-24(25(27,28)29)35(18)13-16-4-3-5-19-21(16)42-26(30,31)41-19/h3-7,12,14,20H,8-11,13H2,1-2H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472262
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-(4-(trifluoromethoxy...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4ccc(OC(F)(F)F)cc4)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H21F6N3O4S/c1-2-40(37,38)20-10-5-16(6-11-20)14-33-23(36)18-7-12-22-21(13-18)34-24(25(27,28)29)35(22)15-17-3-8-19(9-4-17)39-26(30,31)32/h3-13H,2,14-15H2,1H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472271
PNG
(1-(3-cyanobenzyl)-N-(4-(ethylsulfonyl)benzyl)-2-(t...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(c4)C#N)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N4O3S/c1-2-37(35,36)21-9-6-17(7-10-21)15-31-24(34)20-8-11-23-22(13-20)32-25(26(27,28)29)33(23)16-19-5-3-4-18(12-19)14-30/h3-13H,2,15-16H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472278
PNG
(1-((2,3-dihydrobenzofuran-7-yl)methyl)-N-(4-(ethyl...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5CCOc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N3O4S/c1-2-38(35,36)21-9-6-17(7-10-21)15-31-25(34)19-8-11-23-22(14-19)32-26(27(28,29)30)33(23)16-20-5-3-4-18-12-13-37-24(18)20/h3-11,14H,2,12-13,15-16H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472286
PNG
((R)-2-cyclopropyl-1-((2,3-dihydrobenzofuran-7-yl)m...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4CCOc34)c(nc2c1)C1CC1
Show InChI InChI=1S/C30H31N3O5S/c1-2-39(36,37)24-11-8-19(9-12-24)26(18-34)32-30(35)22-10-13-27-25(16-22)31-29(21-6-7-21)33(27)17-23-5-3-4-20-14-15-38-28(20)23/h3-5,8-13,16,21,26,34H,2,6-7,14-15,17-18H2,1H3,(H,32,35)/t26-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472308
PNG
(2-cyclopropyl-1-(2,3-dimethoxybenzyl)-N-(4-(ethyls...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(OC)c4OC)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C29H31N3O5S/c1-4-38(34,35)23-13-8-19(9-14-23)17-30-29(33)21-12-15-25-24(16-21)31-28(20-10-11-20)32(25)18-22-6-5-7-26(36-2)27(22)37-3/h5-9,12-16,20H,4,10-11,17-18H2,1-3H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472320
PNG
(US10829481, Compound I-127 | methyl 2-((4-((1-((1H...)
Show SMILES COC(=O)CS(=O)(=O)N1CCC(CNC(=O)c2ccc3n(Cc4cccc5[nH]ncc45)c(nc3c2)C(F)(F)F)CC1
Show InChI InChI=1S/C26H27F3N6O5S/c1-40-23(36)15-41(38,39)34-9-7-16(8-10-34)12-30-24(37)17-5-6-22-21(11-17)32-25(26(27,28)29)35(22)14-18-3-2-4-20-19(18)13-31-33-20/h2-6,11,13,16H,7-10,12,14-15H2,1H3,(H,30,37)(H,31,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472323
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C26H21F5N4O6S/c1-2-42(38,39)16-7-8-17(32-11-16)19(13-36)33-23(37)14-6-9-20-18(10-14)34-24(25(27,28)29)35(20)12-15-4-3-5-21-22(15)41-26(30,31)40-21/h3-11,19,36H,2,12-13H2,1H3,(H,33,37)/t19-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472324
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C26H21F5N4O6S/c1-2-42(38,39)16-7-8-17(32-11-16)19(13-36)33-23(37)14-6-9-20-18(10-14)34-24(25(27,28)29)35(20)12-15-4-3-5-21-22(15)41-26(30,31)40-21/h3-11,19,36H,2,12-13H2,1H3,(H,33,37)/t19-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472338
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((2-methyl-2H-indazo...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5cn(C)nc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N5O3S/c1-3-39(37,38)21-10-7-17(8-11-21)14-31-25(36)18-9-12-23-22(13-18)32-26(27(28,29)30)35(23)16-20-6-4-5-19-15-34(2)33-24(19)20/h4-13,15H,3,14,16H2,1-2H3,(H,31,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472161
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C27H22F5N3O6S/c1-2-42(38,39)18-9-6-15(7-10-18)20(14-36)33-24(37)16-8-11-21-19(12-16)34-25(26(28,29)30)35(21)13-17-4-3-5-22-23(17)41-27(31,32)40-22/h3-12,20,36H,2,13-14H2,1H3,(H,33,37)/t20-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472180
PNG
((S)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C26H20F5N3O6S/c1-41(37,38)17-8-5-14(6-9-17)19(13-35)32-23(36)15-7-10-20-18(11-15)33-24(25(27,28)29)34(20)12-16-3-2-4-21-22(16)40-26(30,31)39-21/h2-11,19,35H,12-13H2,1H3,(H,32,36)/t19-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472194
PNG
(2-(tert-butyl)-1-((2,2-difluorobenzo[d][1,3]dioxol...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(C)(C)C)cc1
Show InChI InChI=1S/C29H29F2N3O5S/c1-5-40(36,37)21-12-9-18(10-13-21)16-32-26(35)19-11-14-23-22(15-19)33-27(28(2,3)4)34(23)17-20-7-6-8-24-25(20)39-29(30,31)38-24/h6-15H,5,16-17H2,1-4H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472213
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2(F)CC2)cc1
Show InChI InChI=1S/C27H22F3N3O5S/c1-39(35,36)19-8-5-16(6-9-19)14-31-24(34)17-7-10-21-20(13-17)32-25(26(28)11-12-26)33(21)15-18-3-2-4-22-23(18)38-27(29,30)37-22/h2-10,13H,11-12,14-15H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472215
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C2(F)CC2)cc1
Show InChI InChI=1S/C27H23F3N4O5S/c1-31-40(36,37)19-8-5-16(6-9-19)14-32-24(35)17-7-10-21-20(13-17)33-25(26(28)11-12-26)34(21)15-18-3-2-4-22-23(18)39-27(29,30)38-22/h2-10,13,31H,11-12,14-15H2,1H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472227
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H22F5N3O5S/c1-2-12-41(37,38)19-9-6-16(7-10-19)14-33-24(36)17-8-11-21-20(13-17)34-25(26(28,29)30)35(21)15-18-4-3-5-22-23(18)40-27(31,32)39-22/h3-11,13H,2,12,14-15H2,1H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472229
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(C)(C)OC)cc1
Show InChI InChI=1S/C29H29F2N3O6S/c1-5-41(36,37)21-12-9-18(10-13-21)16-32-26(35)19-11-14-23-22(15-19)33-27(28(2,3)38-4)34(23)17-20-7-6-8-24-25(20)40-29(30,31)39-24/h6-15H,5,16-17H2,1-4H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472233
PNG
(2-((1R,2R)-2-cyanocyclopropyl)-1-((2,2-difluoroben...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)[C@@H]2C[C@H]2C#N)cc1
Show InChI InChI=1S/C29H24F2N4O5S/c1-2-41(37,38)21-9-6-17(7-10-21)15-33-28(36)18-8-11-24-23(13-18)34-27(22-12-20(22)14-32)35(24)16-19-4-3-5-25-26(19)40-29(30,31)39-25/h3-11,13,20,22H,2,12,15-16H2,1H3,(H,33,36)/t20-,22+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472243
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-2...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(C)(F)F)nc1
Show InChI InChI=1S/C26H22F4N4O5S/c1-3-40(36,37)18-9-8-17(31-13-18)12-32-23(35)15-7-10-20-19(11-15)33-24(25(2,27)28)34(20)14-16-5-4-6-21-22(16)39-26(29,30)38-21/h4-11,13H,3,12,14H2,1-2H3,(H,32,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472251
PNG
(US10829481, Compound I-74 | methyl 2-((4-((1-((2,2...)
Show SMILES COC(=O)CS(=O)(=O)N1CCC(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)CC1
Show InChI InChI=1S/C26H25F5N4O7S/c1-40-21(36)14-43(38,39)34-9-7-15(8-10-34)12-32-23(37)16-5-6-19-18(11-16)33-24(25(27,28)29)35(19)13-17-3-2-4-20-22(17)42-26(30,31)41-20/h2-6,11,15H,7-10,12-14H2,1H3,(H,32,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472258
PNG
((R)-1-((2,3-dihydrobenzofuran-7-yl)methyl)-N-(1-(4...)
Show SMILES CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4CCOc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C28H26F3N3O5S/c1-2-40(37,38)21-9-6-17(7-10-21)23(16-35)32-26(36)19-8-11-24-22(14-19)33-27(28(29,30)31)34(24)15-20-5-3-4-18-12-13-39-25(18)20/h3-11,14,23,35H,2,12-13,15-16H2,1H3,(H,32,36)/t23-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472268
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-(3-methoxybenzyl)-2-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(OC)c4)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H24F3N3O4S/c1-3-37(34,35)21-10-7-17(8-11-21)15-30-24(33)19-9-12-23-22(14-19)31-25(26(27,28)29)32(23)16-18-5-4-6-20(13-18)36-2/h4-14H,3,15-16H2,1-2H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472303
PNG
((S)-2-cyclopropyl-1-(1-(2,2-difluorobenzo[d][1,3]d...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n([C@@H](C)c4cccc5OC(F)(F)Oc45)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C29H27F2N3O5S/c1-3-40(36,37)21-12-7-18(8-13-21)16-32-28(35)20-11-14-24-23(15-20)33-27(19-9-10-19)34(24)17(2)22-5-4-6-25-26(22)39-29(30,31)38-25/h4-8,11-15,17,19H,3,9-10,16H2,1-2H3,(H,32,35)/t17-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472335
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-(2-fluoro-3-methoxyb...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(OC)c4F)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H23F4N3O4S/c1-3-38(35,36)19-10-7-16(8-11-19)14-31-24(34)17-9-12-21-20(13-17)32-25(26(28,29)30)33(21)15-18-5-4-6-22(37-2)23(18)27/h4-13H,3,14-15H2,1-2H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472337
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((4-methyl-6-(triflu...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4nc(C)cc(n4)C(F)(F)F)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H21F6N5O3S/c1-3-40(38,39)17-7-4-15(5-8-17)12-32-22(37)16-6-9-19-18(11-16)34-23(25(29,30)31)36(19)13-21-33-14(2)10-20(35-21)24(26,27)28/h4-11H,3,12-13H2,1-2H3,(H,32,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
<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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472157
PNG
(US10829481, Compound I-7 | ethyl 2-(4-(2-((1-((2,2...)
Show SMILES CCOC(=O)Cc1ccc(CC(=O)Nc2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H22F5N3O5/c1-2-39-24(38)13-17-8-6-16(7-9-17)12-23(37)34-19-10-11-21-20(14-19)35-26(27(29,30)31)36(21)15-18-4-3-5-22-25(18)41-28(32,33)40-22/h3-11,14H,2,12-13,15H2,1H3,(H,34,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472267
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((2-methyl-5,6,7,8- ...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC4CCCn5cc(C)nc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H28F3N5O3S/c1-3-39(37,38)21-9-6-18(7-10-21)14-31-25(36)19-8-11-23-22(13-19)33-26(27(28,29)30)35(23)16-20-5-4-12-34-15-17(2)32-24(20)34/h6-11,13,15,20H,3-5,12,14,16H2,1-2H3,(H,31,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472339
PNG
(1-((1,2-dimethyl-1H-benzo[d]imidazol-7-yl)methyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5nc(C)n(C)c45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H26F3N5O3S/c1-4-40(38,39)21-11-8-18(9-12-21)15-32-26(37)19-10-13-24-23(14-19)34-27(28(29,30)31)36(24)16-20-6-5-7-22-25(20)35(3)17(2)33-22/h5-14H,4,15-16H2,1-3H3,(H,32,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472313
PNG
(N-((1H-benzo[d][1,2,3]triazol-6-yl)methyl)-1-((2,2...)
Show SMILES FC(F)(F)c1nc2cc(ccc2n1Cc1cccc2OC(F)(F)Oc12)C(=O)NCc1ccc2nn[nH]c2c1
Show InChI InChI=1S/C24H15F5N6O3/c25-23(26,27)22-31-17-9-13(21(36)30-10-12-4-6-15-16(8-12)33-34-32-15)5-7-18(17)35(22)11-14-2-1-3-19-20(14)38-24(28,29)37-19/h1-9H,10-11H2,(H,30,36)(H,32,33,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472387
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES CN1CCN(CCC1CNC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C25H26F5N5O5S/c1-33-10-11-34(41(2,37)38)9-8-17(33)13-31-22(36)15-6-7-19-18(12-15)32-23(24(26,27)28)35(19)14-16-4-3-5-20-21(16)40-25(29,30)39-20/h3-7,12,17H,8-11,13-14H2,1-2H3,(H,31,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472359
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((1-(2,2,2-trifluoro...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC4CCN(CC(F)(F)F)CC4)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H28F6N4O3S/c1-2-40(38,39)20-6-3-17(4-7-20)14-33-23(37)19-5-8-22-21(13-19)34-24(26(30,31)32)36(22)15-18-9-11-35(12-10-18)16-25(27,28)29/h3-8,13,18H,2,9-12,14-16H2,1H3,(H,33,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472352
PNG
(1-benzyl-N-(4-(ethylsulfonyl)benzyl)-2-methyl-1H-b...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4ccccc4)c(C)nc3c2)cc1
Show InChI InChI=1S/C25H25N3O3S/c1-3-32(30,31)22-12-9-19(10-13-22)16-26-25(29)21-11-14-24-23(15-21)27-18(2)28(24)17-20-7-5-4-6-8-20/h4-15H,3,16-17H2,1-2H3,(H,26,29)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472348
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((1-methyl-2-oxo-1,2...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccn(C)c4=O)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3N4O4S/c1-3-37(35,36)19-9-6-16(7-10-19)14-29-22(33)17-8-11-21-20(13-17)30-24(25(26,27)28)32(21)15-18-5-4-12-31(2)23(18)34/h4-13H,3,14-15H2,1-2H3,(H,29,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472231
PNG
(2-((1S,2R)-2-cyanocyclopropyl)-1-((2,2-difluoroben...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)[C@H]2C[C@H]2C#N)cc1
Show InChI InChI=1S/C29H24F2N4O5S/c1-2-41(37,38)21-9-6-17(7-10-21)15-33-28(36)18-8-11-24-23(13-18)34-27(22-12-20(22)14-32)35(24)16-19-4-3-5-25-26(19)40-29(30,31)39-25/h3-11,13,20,22H,2,12,15-16H2,1H3,(H,33,36)/t20-,22-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472347
PNG
(US10829481, Compound I-145 | tert-butyl 4-((5-((4-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC4CCN(CC4)C(=O)OC(C)(C)C)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H35F3N4O5S/c1-5-42(39,40)22-9-6-19(7-10-22)17-33-25(37)21-8-11-24-23(16-21)34-26(29(30,31)32)36(24)18-20-12-14-35(15-13-20)27(38)41-28(2,3)4/h6-11,16,20H,5,12-15,17-18H2,1-4H3,(H,33,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472158
PNG
(2-(4-(2-((1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl...)
Show SMILES OC(=O)Cc1ccc(CC(=O)Nc2ccc3n(Cc4cccc5OC(F)(F)Oc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H18F5N3O5/c27-25(28,29)24-33-18-12-17(32-21(35)10-14-4-6-15(7-5-14)11-22(36)37)8-9-19(18)34(24)13-16-2-1-3-20-23(16)39-26(30,31)38-20/h1-9,12H,10-11,13H2,(H,32,35)(H,36,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
KEGG
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472294
PNG
(2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-(2-met...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(c4OC)C(F)(F)F)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C29H28F3N3O4S/c1-3-40(37,38)22-12-7-18(8-13-22)16-33-28(36)20-11-14-25-24(15-20)34-27(19-9-10-19)35(25)17-21-5-4-6-23(26(21)39-2)29(30,31)32/h4-8,11-15,19H,3,9-10,16-17H2,1-2H3,(H,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472322
PNG
(1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methyl)-N...)
Show SMILES FC(F)(F)c1nc2cc(ccc2n1Cc1cccc2OC(F)(F)Oc12)C(=O)NCc1ccc2c(c1)[nH]ccc2=O
Show InChI InChI=1S/C27H17F5N4O4/c28-26(29,30)25-35-19-11-15(24(38)34-12-14-4-6-17-18(10-14)33-9-8-21(17)37)5-7-20(19)36(25)13-16-2-1-3-22-23(16)40-27(31,32)39-22/h1-11H,12-13H2,(H,33,37)(H,34,38)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472341
PNG
(1-((1H-indazol-7-yl)methyl)-N-(4-(ethylsulfonyl)be...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5cn[nH]c45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H22F3N5O3S/c1-2-38(36,37)20-9-6-16(7-10-20)13-30-24(35)17-8-11-22-21(12-17)32-25(26(27,28)29)34(22)15-19-5-3-4-18-14-31-33-23(18)19/h3-12,14H,2,13,15H2,1H3,(H,30,35)(H,31,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472346
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((6-oxo-1-(2,2,2-tri...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(=O)n4CC(F)(F)F)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H22F6N4O4S/c1-2-41(39,40)19-9-6-16(7-10-19)13-33-23(38)17-8-11-21-20(12-17)34-24(26(30,31)32)35(21)14-18-4-3-5-22(37)36(18)15-25(27,28)29/h3-12H,2,13-15H2,1H3,(H,33,38)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472296
PNG
(1-(3-cyanobenzyl)-2-cyclopropyl-N-(4-(ethylsulfony...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc(c4)C#N)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H26N4O3S/c1-2-36(34,35)24-11-6-19(7-12-24)17-30-28(33)23-10-13-26-25(15-23)31-27(22-8-9-22)32(26)18-21-5-3-4-20(14-21)16-29/h3-7,10-15,22H,2,8-9,17-18H2,1H3,(H,30,33)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472289
PNG
(2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dioxol-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4ccc5OC(F)(F)Oc5c4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H25F2N3O5S/c1-2-39(35,36)21-9-3-17(4-10-21)15-31-27(34)20-8-11-23-22(14-20)32-26(19-6-7-19)33(23)16-18-5-12-24-25(13-18)38-28(29,30)37-24/h3-5,8-14,19H,2,6-7,15-16H2,1H3,(H,31,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472334
PNG
((R)-1-((2,2-difluorobenzo[d][1,3]dioxol-4-yl)methy...)
Show SMILES CS(=O)(=O)c1ccc(nc1)[C@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C(F)(F)F
Show InChI InChI=1S/C25H19F5N4O6S/c1-41(37,38)15-6-7-16(31-10-15)18(12-35)32-22(36)13-5-8-19-17(9-13)33-23(24(26,27)28)34(19)11-14-3-2-4-20-21(14)40-25(29,30)39-20/h2-10,18,35H,11-12H2,1H3,(H,32,36)/t18-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472365
PNG
((R)-2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-((...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C[C@H]4CCCN4c4ncc(F)cn4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C29H31FN6O3S/c1-2-40(38,39)24-10-5-19(6-11-24)15-31-28(37)21-9-12-26-25(14-21)34-27(20-7-8-20)36(26)18-23-4-3-13-35(23)29-32-16-22(30)17-33-29/h5-6,9-12,14,16-17,20,23H,2-4,7-8,13,15,18H2,1H3,(H,31,37)/t23-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472272
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((2-oxo-1,2-dihydroq...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cc(=O)[nH]c5ccccc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C28H23F3N4O4S/c1-2-40(38,39)20-10-7-17(8-11-20)15-32-26(37)18-9-12-24-23(13-18)34-27(28(29,30)31)35(24)16-19-14-25(36)33-22-6-4-3-5-21(19)22/h3-14H,2,15-16H2,1H3,(H,32,37)(H,33,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472331
PNG
((R)-2-cyclopropyl-1-((2,2-difluorobenzo[d][1,3]dio...)
Show SMILES CCS(=O)(=O)c1ccc(nc1)[C@@H](CO)NC(=O)c1ccc2n(Cc3cccc4OC(F)(F)Oc34)c(nc2c1)C1CC1
Show InChI InChI=1S/C28H26F2N4O6S/c1-2-41(37,38)19-9-10-20(31-13-19)22(15-35)33-27(36)17-8-11-23-21(12-17)32-26(16-6-7-16)34(23)14-18-4-3-5-24-25(18)40-28(29,30)39-24/h3-5,8-13,16,22,35H,2,6-7,14-15H2,1H3,(H,33,36)/t22-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
550n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472291
PNG
(US10829481, Compound I-107 | tert-butyl (R)-3-((2-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C[C@H]4CCN(C4)C(=O)OC(C)(C)C)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C30H38N4O5S/c1-5-40(37,38)24-11-6-20(7-12-24)17-31-28(35)23-10-13-26-25(16-23)32-27(22-8-9-22)34(26)19-21-14-15-33(18-21)29(36)39-30(2,3)4/h6-7,10-13,16,21-22H,5,8-9,14-15,17-19H2,1-4H3,(H,31,35)/t21-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
>1.00E+3n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472298
PNG
(2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-((1-(2...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4ccn(CC(F)(F)F)n4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C26H26F3N5O3S/c1-2-38(36,37)21-8-3-17(4-9-21)14-30-25(35)19-7-10-23-22(13-19)31-24(18-5-6-18)34(23)15-20-11-12-33(32-20)16-26(27,28)29/h3-4,7-13,18H,2,5-6,14-16H2,1H3,(H,30,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
>1.00E+3n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472364
PNG
((R)-2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-((...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C[C@H]4CCN(C4)c4ncc(F)cn4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C29H31FN6O3S/c1-2-40(38,39)24-8-3-19(4-9-24)14-31-28(37)22-7-10-26-25(13-22)34-27(21-5-6-21)36(26)18-20-11-12-35(17-20)29-32-15-23(30)16-33-29/h3-4,7-10,13,15-16,20-21H,2,5-6,11-12,14,17-18H2,1H3,(H,31,37)/t20-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
>1.00E+3n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472292
PNG
(US10829481, Compound I-108 | tert-butyl (R)-2-((2-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C[C@H]4CCCN4C(=O)OC(C)(C)C)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C30H38N4O5S/c1-5-40(37,38)24-13-8-20(9-14-24)18-31-28(35)22-12-15-26-25(17-22)32-27(21-10-11-21)34(26)19-23-7-6-16-33(23)29(36)39-30(2,3)4/h8-9,12-15,17,21,23H,5-7,10-11,16,18-19H2,1-4H3,(H,31,35)/t23-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
>1.00E+3n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472340
PNG
(N-(4-(ethylsulfonyl)benzyl)-1-((1-methyl-1H-indazo...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cccc5n(C)ncc45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N5O3S/c1-3-39(37,38)20-10-7-17(8-11-20)14-31-25(36)18-9-12-24-22(13-18)33-26(27(28,29)30)35(24)16-19-5-4-6-23-21(19)15-32-34(23)2/h4-13,15H,3,14,16H2,1-2H3,(H,31,36)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
>1.00E+3n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472295
PNG
(2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-((1-(2...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4cnn(CC(F)(F)F)c4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C26H26F3N5O3S/c1-2-38(36,37)21-8-3-17(4-9-21)12-30-25(35)20-7-10-23-22(11-20)32-24(19-5-6-19)34(23)15-18-13-31-33(14-18)16-26(27,28)29/h3-4,7-11,13-14,19H,2,5-6,12,15-16H2,1H3,(H,30,35)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
>1.00E+3n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472266
PNG
(1-((6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4nnc5CCCn45)c(nc3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C24H23F3N6O3S/c1-2-37(35,36)17-8-5-15(6-9-17)13-28-22(34)16-7-10-19-18(12-16)29-23(24(25,26)27)33(19)14-21-31-30-20-4-3-11-32(20)21/h5-10,12H,2-4,11,13-14H2,1H3,(H,28,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
>1.00E+3n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472305
PNG
(2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-((6-ox...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(Cc4ccc(=O)n(CC(F)(F)F)c4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C28H27F3N4O4S/c1-2-40(38,39)22-9-3-18(4-10-22)14-32-27(37)21-8-11-24-23(13-21)33-26(20-6-7-20)35(24)16-19-5-12-25(36)34(15-19)17-28(29,30)31/h3-5,8-13,15,20H,2,6-7,14,16-17H2,1H3,(H,32,37)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
>1.00E+3n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472360
PNG
((S)-2-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-1-((...)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C[C@H]4CCN(CC(F)(F)F)C4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C27H31F3N4O3S/c1-2-38(36,37)22-8-3-18(4-9-22)14-31-26(35)21-7-10-24-23(13-21)32-25(20-5-6-20)34(24)16-19-11-12-33(15-19)17-27(28,29)30/h3-4,7-10,13,19-20H,2,5-6,11-12,14-17H2,1H3,(H,31,35)/t19-/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
>1.00E+3n/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 US10829481 (2020)

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


(Homo sapiens (Human))
BDBM472361
PNG
(US10829481, Compound I-157)
Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C[C@@H]4CCN(CC(F)(F)F)C4)c(nc3c2)C2CC2)cc1
Show InChI InChI=1S/C27H31F3N4O3S/c1-2-38(36,37)22-8-3-18(4-9-22)14-31-26(35)21-7-10-24-23(13-21)32-25(20-5-6-20)34(24)16-19-11-12-33(15-19)17-27(28,29)30/h3-4,7-10,13,19-20H,2,5-6,11-12,14-17H2,1H3,(H,31,35)/t19-/m1/s1
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
UniChem
US Patent
>1.00E+3n/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 US10829481 (2020)

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