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Patent code US9688684

Compile Data Set for Download or QSAR

Found 278 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175896
PNG
(US9688684, Compound 93: 8-(4-Fluoro-phenyl)-7-(3-m...)
Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccc(F)cc2)c1
Show InChI InChI=1S/C18H18FN5/c1-13-3-2-4-14(11-13)12-23-9-10-24-18(20-21-22-24)17(23)15-5-7-16(19)8-6-15/h2-8,11,17H,9-10,12H2,1H3
PDB

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US Patent
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Merck Patent GmbH

US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175845
PNG
(US9688684, Compound 42: 8-(4-Chloro-phenyl)-7-(3-f...)
Show SMILES Fc1cccc(CN2CCn3nnnc3C2c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H15ClFN5/c18-14-6-4-13(5-7-14)16-17-20-21-22-24(17)9-8-23(16)11-12-2-1-3-15(19)10-12/h1-7,10,16H,8-9,11H2
PDB

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Merck Patent GmbH

US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175894
PNG
(US9688684, Compound 91: 7-(4-Fluoro-benzyl)-8-(3-f...)
Show SMILES Fc1ccc(CN2CCn3nnnc3C2c2cccc(F)c2)cc1
Show InChI InChI=1S/C17H15F2N5/c18-14-6-4-12(5-7-14)11-23-8-9-24-17(20-21-22-24)16(23)13-2-1-3-15(19)10-13/h1-7,10,16H,8-9,11H2
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Assay Description
For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175895
PNG
(US9688684, Compound 92: 7-(3-Bromo-benzyl)-8-m-tol...)
Show SMILES Cc1cccc(c1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C18H18BrN5/c1-13-4-2-6-15(10-13)17-18-20-21-22-24(18)9-8-23(17)12-14-5-3-7-16(19)11-14/h2-7,10-11,17H,8-9,12H2,1H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175901
PNG
(US9688684, Compound 98: 7-Benzyl-8-(4-butoxy-pheny...)
Show SMILES CCCCOc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C21H25N5O/c1-2-3-15-27-19-11-9-18(10-12-19)20-21-22-23-24-26(21)14-13-25(20)16-17-7-5-4-6-8-17/h4-12,20H,2-3,13-16H2,1H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175903
PNG
(US9688684, Compound 100: 7-Benzyl-8-m-tolyl-5,6,7,...)
Show SMILES Cc1cccc(c1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C18H19N5/c1-14-6-5-9-16(12-14)17-18-19-20-21-23(18)11-10-22(17)13-15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175855
PNG
(US9688684, Compound 52: 7-(4-Bromo-benzyl)-8-(3-is...)
Show SMILES CC(C)c1nn(cc1C1N(Cc2ccc(Br)cc2)CCn2nnnc12)-c1ccccc1
Show InChI InChI=1S/C23H24BrN7/c1-16(2)21-20(15-31(26-21)19-6-4-3-5-7-19)22-23-25-27-28-30(23)13-12-29(22)14-17-8-10-18(24)11-9-17/h3-11,15-16,22H,12-14H2,1-2H3
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US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175864
PNG
(US9688684, Compound 61: 8-(3-Isopropyl-1-phenyl-1H...)
Show SMILES CC(C)c1nn(cc1C1N(Cc2cccs2)CCn2nnnc12)-c1ccccc1
Show InChI InChI=1S/C21H23N7S/c1-15(2)19-18(14-28(23-19)16-7-4-3-5-8-16)20-21-22-24-25-27(21)11-10-26(20)13-17-9-6-12-29-17/h3-9,12,14-15,20H,10-11,13H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175891
PNG
(US9688684, Compound 88: 7-Benzyl-8-(4-isopropoxy-p...)
Show SMILES CC(C)Oc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C20H23N5O/c1-15(2)26-18-10-8-17(9-11-18)19-20-21-22-23-25(20)13-12-24(19)14-16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3
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US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175897
PNG
(US9688684, Compound 94: 7-Benzyl-8-(3-bromo-phenyl...)
Show SMILES Brc1cccc(c1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C17H16BrN5/c18-15-8-4-7-14(11-15)16-17-19-20-21-23(17)10-9-22(16)12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175898
PNG
(US9688684, Compound 95: 8-(2,3-Dihydro-benzo[1,4]d...)
Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccc3OCCOc3c2)c1
Show InChI InChI=1S/C20H21N5O2/c1-14-3-2-4-15(11-14)13-24-7-8-25-20(21-22-23-25)19(24)16-5-6-17-18(12-16)27-10-9-26-17/h2-6,11-12,19H,7-10,13H2,1H3
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US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175901
PNG
(US9688684, Compound 98: 7-Benzyl-8-(4-butoxy-pheny...)
Show SMILES CCCCOc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C21H25N5O/c1-2-3-15-27-19-11-9-18(10-12-19)20-21-22-23-24-26(21)14-13-25(20)16-17-7-5-4-6-8-17/h4-12,20H,2-3,13-16H2,1H3
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US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175906
PNG
(US9688684, Compound 103: 8-(4-Butoxy-phenyl)-7-(3-...)
Show SMILES CCCCOc1ccc(cc1)C1N(Cc2cccc(C)c2)CCn2nnnc12
Show InChI InChI=1S/C22H27N5O/c1-3-4-14-28-20-10-8-19(9-11-20)21-22-23-24-25-27(22)13-12-26(21)16-18-7-5-6-17(2)15-18/h5-11,15,21H,3-4,12-14,16H2,1-2H3
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US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175909
PNG
(US9688684, Compound 106: 8-(4-Chloro-phenyl)-7-thi...)
Show SMILES Clc1ccc(cc1)C1N(Cc2cccs2)CCn2nnnc12
Show InChI InChI=1S/C15H14ClN5S/c16-12-5-3-11(4-6-12)14-15-17-18-19-21(15)8-7-20(14)10-13-2-1-9-22-13/h1-6,9,14H,7-8,10H2
PDB

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US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175910
PNG
(US9688684, Compound 107: 7-(3-Bromo-benzyl)-8-(3,5...)
Show SMILES Cc1cc(C)cc(c1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C19H20BrN5/c1-13-8-14(2)10-16(9-13)18-19-21-22-23-25(19)7-6-24(18)12-15-4-3-5-17(20)11-15/h3-5,8-11,18H,6-7,12H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175953
PNG
(US9688684, Compound 150: 7-Benzyl-8-(3-isopropyl-1...)
Show SMILES CC(C)c1nn(cc1C1N(Cc2ccccc2)CCn2nnnc12)-c1ccccc1
Show InChI InChI=1S/C23H25N7/c1-17(2)21-20(16-30(25-21)19-11-7-4-8-12-19)22-23-24-26-27-29(23)14-13-28(22)15-18-9-5-3-6-10-18/h3-12,16-17,22H,13-15H2,1-2H3
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Assay Description
For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175820
PNG
(US9688684, Compound 17: {4-[7-(3-Fluoro-benzyl)-5,...)
Show SMILES CN(C)c1ccc(cc1)C1N(Cc2cccc(F)c2)CCn2nnnc12
Show InChI InChI=1S/C19H21FN6/c1-24(2)17-8-6-15(7-9-17)18-19-21-22-23-26(19)11-10-25(18)13-14-4-3-5-16(20)12-14/h3-9,12,18H,10-11,13H2,1-2H3
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US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175900
PNG
(US9688684, Compound 97: 8-(4-Chloro-phenyl)-7-(3-m...)
Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H18ClN5/c1-13-3-2-4-14(11-13)12-23-9-10-24-18(20-21-22-24)17(23)15-5-7-16(19)8-6-15/h2-8,11,17H,9-10,12H2,1H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175904
PNG
(US9688684, Compound 101: 7-Benzyl-8-(3,5-difluoro-...)
Show SMILES Fc1cc(F)cc(c1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C17H15F2N5/c18-14-8-13(9-15(19)10-14)16-17-20-21-22-24(17)7-6-23(16)11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175907
PNG
(US9688684, Compound 104: 7-(3-Bromo-benzyl)-8-(4-i...)
Show SMILES CC(C)c1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C20H22BrN5/c1-14(2)16-6-8-17(9-7-16)19-20-22-23-24-26(20)11-10-25(19)13-15-4-3-5-18(21)12-15/h3-9,12,14,19H,10-11,13H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175817
PNG
(US9688684, Compound 14: {4-[7-(2-Fluoro-benzyl)-5,...)
Show SMILES CN(C)c1ccc(cc1)C1N(Cc2ccccc2F)CCn2nnnc12
Show InChI InChI=1S/C19H21FN6/c1-24(2)16-9-7-14(8-10-16)18-19-21-22-23-26(19)12-11-25(18)13-15-5-3-4-6-17(15)20/h3-10,18H,11-13H2,1-2H3
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Assay Description
For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175866
PNG
(US9688684, Compound 63: 7-(2,3-Difluoro-benzyl)-8-...)
Show SMILES CC(C)c1nn(cc1C1N(Cc2cccc(F)c2F)CCn2nnnc12)-c1ccccc1
Show InChI InChI=1S/C23H23F2N7/c1-15(2)21-18(14-32(27-21)17-8-4-3-5-9-17)22-23-26-28-29-31(23)12-11-30(22)13-16-7-6-10-19(24)20(16)25/h3-10,14-15,22H,11-13H2,1-2H3
PDB

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US Patent


Assay Description
For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175902
PNG
(US9688684, Compound 99: 8-(4-Isopropoxy-phenyl)-7-...)
Show SMILES CC(C)c1ccc(cc1)C1N(Cc2cccc(C)c2)CCn2nnnc12
Show InChI InChI=1S/C21H25N5/c1-15(2)18-7-9-19(10-8-18)20-21-22-23-24-26(21)12-11-25(20)14-17-6-4-5-16(3)13-17/h4-10,13,15,20H,11-12,14H2,1-3H3
PDB

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US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175967
PNG
(US9688684, Compound 164: [4-(7-Benzyl-5,6,7,8-tetr...)
Show SMILES CN(C)c1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C19H22N6/c1-23(2)17-10-8-16(9-11-17)18-19-20-21-22-25(19)13-12-24(18)14-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


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More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175864
PNG
(US9688684, Compound 61: 8-(3-Isopropyl-1-phenyl-1H...)
Show SMILES CC(C)c1nn(cc1C1N(Cc2cccs2)CCn2nnnc12)-c1ccccc1
Show InChI InChI=1S/C21H23N7S/c1-15(2)19-18(14-28(23-19)16-7-4-3-5-8-16)20-21-22-24-25-27(21)11-10-26(20)13-17-9-6-12-29-17/h3-9,12,14-15,20H,10-11,13H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175864
PNG
(US9688684, Compound 61: 8-(3-Isopropyl-1-phenyl-1H...)
Show SMILES CC(C)c1nn(cc1C1N(Cc2cccs2)CCn2nnnc12)-c1ccccc1
Show InChI InChI=1S/C21H23N7S/c1-15(2)19-18(14-28(23-19)16-7-4-3-5-8-16)20-21-22-24-25-27(21)11-10-26(20)13-17-9-6-12-29-17/h3-9,12,14-15,20H,10-11,13H2,1-2H3
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Assay Description
For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175893
PNG
(US9688684, Compound 90: 7-Benzyl-8-(4-ethyl-phenyl...)
Show SMILES CCc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C19H21N5/c1-2-15-8-10-17(11-9-15)18-19-20-21-22-24(19)13-12-23(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175895
PNG
(US9688684, Compound 92: 7-(3-Bromo-benzyl)-8-m-tol...)
Show SMILES Cc1cccc(c1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C18H18BrN5/c1-13-4-2-6-15(10-13)17-18-20-21-22-24(18)9-8-23(17)12-14-5-3-7-16(19)11-14/h2-7,10-11,17H,8-9,12H2,1H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175899
PNG
(US9688684, Compound 96: 7-(3-Bromo-benzyl)-8-(4-fl...)
Show SMILES Fc1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C17H15BrFN5/c18-14-3-1-2-12(10-14)11-23-8-9-24-17(20-21-22-24)16(23)13-4-6-15(19)7-5-13/h1-7,10,16H,8-9,11H2
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175851
PNG
(US9688684, Compound 48: 7-(3-Isopropyl-1-phenyl-1H...)
Show SMILES CC(C)c1nn(cc1CN1CCn2nnnc2C1c1cccs1)-c1ccccc1
Show InChI InChI=1S/C21H23N7S/c1-15(2)19-16(14-28(23-19)17-7-4-3-5-8-17)13-26-10-11-27-21(22-24-25-27)20(26)18-9-6-12-29-18/h3-9,12,14-15,20H,10-11,13H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175864
PNG
(US9688684, Compound 61: 8-(3-Isopropyl-1-phenyl-1H...)
Show SMILES CC(C)c1nn(cc1C1N(Cc2cccs2)CCn2nnnc12)-c1ccccc1
Show InChI InChI=1S/C21H23N7S/c1-15(2)19-18(14-28(23-19)16-7-4-3-5-8-16)20-21-22-24-25-27(21)11-10-26(20)13-17-9-6-12-29-17/h3-9,12,14-15,20H,10-11,13H2,1-2H3
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For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


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More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175887
PNG
(US9688684, Compound 84: 8-(4-Fluoro-phenyl)-7-pyri...)
Show SMILES Fc1ccc(cc1)C1N(Cc2ccncc2)CCn2nnnc12
Show InChI InChI=1S/C16H15FN6/c17-14-3-1-13(2-4-14)15-16-19-20-21-23(16)10-9-22(15)11-12-5-7-18-8-6-12/h1-8,15H,9-11H2
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For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175896
PNG
(US9688684, Compound 93: 8-(4-Fluoro-phenyl)-7-(3-m...)
Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccc(F)cc2)c1
Show InChI InChI=1S/C18H18FN5/c1-13-3-2-4-14(11-13)12-23-9-10-24-18(20-21-22-24)17(23)15-5-7-16(19)8-6-15/h2-8,11,17H,9-10,12H2,1H3
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In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175905
PNG
(US9688684, Compound 102: 7-Benzyl-8-(4-fluoro-phen...)
Show SMILES Fc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C17H16FN5/c18-15-8-6-14(7-9-15)16-17-19-20-21-23(17)11-10-22(16)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2
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In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175912
PNG
(US9688684, Compound 109: {4-[7-(3-Bromo-benzyl)-5,...)
Show SMILES CN(C)c1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C19H21BrN6/c1-24(2)17-8-6-15(7-9-17)18-19-21-22-23-26(19)11-10-25(18)13-14-4-3-5-16(20)12-14/h3-9,12,18H,10-11,13H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175965
PNG
(US9688684, Compound 162: 8-(1-Benzyl-3-isopropyl-1...)
Show SMILES CC(C)c1nn(Cc2ccccc2)cc1C1N(Cc2cccs2)CCn2nnnc12
Show InChI InChI=1S/C22H25N7S/c1-16(2)20-19(15-28(24-20)13-17-7-4-3-5-8-17)21-22-23-25-26-29(22)11-10-27(21)14-18-9-6-12-30-18/h3-9,12,15-16,21H,10-11,13-14H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175892
PNG
(US9688684, Compound 89: 7-Benzyl-8-(3-fluoro-pheny...)
Show SMILES Fc1cccc(c1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C17H16FN5/c18-15-8-4-7-14(11-15)16-17-19-20-21-23(17)10-9-22(16)12-13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175893
PNG
(US9688684, Compound 90: 7-Benzyl-8-(4-ethyl-phenyl...)
Show SMILES CCc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C19H21N5/c1-2-15-8-10-17(11-9-15)18-19-20-21-22-24(19)13-12-23(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175899
PNG
(US9688684, Compound 96: 7-(3-Bromo-benzyl)-8-(4-fl...)
Show SMILES Fc1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C17H15BrFN5/c18-14-3-1-2-12(10-14)11-23-8-9-24-17(20-21-22-24)16(23)13-4-6-15(19)7-5-13/h1-7,10,16H,8-9,11H2
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175908
PNG
(US9688684, Compound 105: 7-(3-Methyl-benzyl)-8-phe...)
Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccccc2)c1
Show InChI InChI=1S/C18H19N5/c1-14-6-5-7-15(12-14)13-22-10-11-23-18(19-20-21-23)17(22)16-8-3-2-4-9-16/h2-9,12,17H,10-11,13H2,1H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175911
PNG
(US9688684, Compound 108: 7-(3-Bromo-benzyl)-8-(2,5...)
Show SMILES Fc1ccc(F)c(c1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C17H14BrF2N5/c18-12-3-1-2-11(8-12)10-24-6-7-25-17(21-22-23-25)16(24)14-9-13(19)4-5-15(14)20/h1-5,8-9,16H,6-7,10H2
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175913
PNG
(US9688684, Compound 110: 7-(3-Bromo-benzyl)-8-(4-i...)
Show SMILES CC(C)Oc1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C20H22BrN5O/c1-14(2)27-18-8-6-16(7-9-18)19-20-22-23-24-26(20)11-10-25(19)13-15-4-3-5-17(21)12-15/h3-9,12,14,19H,10-11,13H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175946
PNG
(US9688684, Compound 143: 7-(3-Chloro-benzyl)-8-(3-...)
Show SMILES CC(C)c1nn(cc1C1N(Cc2cccc(Cl)c2)CCn2nnnc12)-c1ccccc1
Show InChI InChI=1S/C23H24ClN7/c1-16(2)21-20(15-31(26-21)19-9-4-3-5-10-19)22-23-25-27-28-30(23)12-11-29(22)14-17-7-6-8-18(24)13-17/h3-10,13,15-16,22H,11-12,14H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175966
PNG
(US9688684, Compound 163: 7-(3-Bromo-benzyl)-8-(3-f...)
Show SMILES Fc1cccc(c1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C17H15BrFN5/c18-14-5-1-3-12(9-14)11-23-7-8-24-17(20-21-22-24)16(23)13-4-2-6-15(19)10-13/h1-6,9-10,16H,7-8,11H2
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175837
PNG
(US9688684, Compound 34: 8-(2,5-Difluoro-phenyl)-7-...)
Show SMILES CC(C)c1nn(cc1CN1CCn2nnnc2C1c1cc(F)ccc1F)-c1ccccc1
Show InChI InChI=1S/C23H23F2N7/c1-15(2)21-16(14-32(27-21)18-6-4-3-5-7-18)13-30-10-11-31-23(26-28-29-31)22(30)19-12-17(24)8-9-20(19)25/h3-9,12,14-15,22H,10-11,13H2,1-2H3
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Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175946
PNG
(US9688684, Compound 143: 7-(3-Chloro-benzyl)-8-(3-...)
Show SMILES CC(C)c1nn(cc1C1N(Cc2cccc(Cl)c2)CCn2nnnc12)-c1ccccc1
Show InChI InChI=1S/C23H24ClN7/c1-16(2)21-20(15-31(26-21)19-9-4-3-5-10-19)22-23-25-27-28-30(23)12-11-29(22)14-17-7-6-8-18(24)13-17/h3-10,13,15-16,22H,11-12,14H2,1-2H3
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Assay Description
For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175893
PNG
(US9688684, Compound 90: 7-Benzyl-8-(4-ethyl-phenyl...)
Show SMILES CCc1ccc(cc1)C1N(Cc2ccccc2)CCn2nnnc12
Show InChI InChI=1S/C19H21N5/c1-2-15-8-10-17(11-9-15)18-19-20-21-22-24(19)13-12-23(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
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Assay Description
For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175894
PNG
(US9688684, Compound 91: 7-(4-Fluoro-benzyl)-8-(3-f...)
Show SMILES Fc1ccc(CN2CCn3nnnc3C2c2cccc(F)c2)cc1
Show InChI InChI=1S/C17H15F2N5/c18-14-6-4-12(5-7-14)11-23-8-9-24-17(20-21-22-24)16(23)13-2-1-3-15(19)10-13/h1-7,10,16H,8-9,11H2
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n/an/a 5.45E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In this assay, a GST-tagged human RORγ ligand binding domain (GST-hRORγ-LBD) interacts with a synthetic biotinylated TRAP220 cofactor pepti...


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More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175896
PNG
(US9688684, Compound 93: 8-(4-Fluoro-phenyl)-7-(3-m...)
Show SMILES Cc1cccc(CN2CCn3nnnc3C2c2ccc(F)cc2)c1
Show InChI InChI=1S/C18H18FN5/c1-13-3-2-4-14(11-13)12-23-9-10-24-18(20-21-22-24)17(23)15-5-7-16(19)8-6-15/h2-8,11,17H,9-10,12H2,1H3
PDB

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PC sid
UniChem
US Patent
n/an/a 5.45E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


Citation and Details
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor gamma (RORγ-LBD)


(Homo sapiens (Human))
BDBM175899
PNG
(US9688684, Compound 96: 7-(3-Bromo-benzyl)-8-(4-fl...)
Show SMILES Fc1ccc(cc1)C1N(Cc2cccc(Br)c2)CCn2nnnc12
Show InChI InChI=1S/C17H15BrFN5/c18-14-3-1-2-12(10-14)11-23-8-9-24-17(20-21-22-24)16(23)13-4-6-15(19)7-5-13/h1-7,10,16H,8-9,11H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.45E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
For the assay 12,500 293T cells (DSMZ no ACC 635) per 384 well are seeded in 30 μl inMEM Eagle medium, supplemented with 10% FBS, 2 mM Glutamax,...


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