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PubMed code 24239186

Compile data set for download or QSAR
Found 84 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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444333
PNG
(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/a 34n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444335
PNG
(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/a 50n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444334
PNG
(CHEMBL3094368)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c1-11-2-8-14(9-3-11)32(30,31)28(10-15(19,20)21)13-6-4-12(5-7-13)16(29,17(22,23)24)18(25,26)27/h2-9,29H,10H2,1H3
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n/an/a 51n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444336
PNG
(CHEMBL3094366)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(c1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-3-1-2-11(8-14)9-28)13-6-4-12(5-7-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/a 190n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/a 245n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444341
PNG
(CHEMBL3094384)
Show SMILES CCN(c1cccc(c1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-9-4-3-5-10-14)13-8-6-7-12(11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/a 329n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444345
PNG
(CHEMBL3094379)
Show SMILES OC(c1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H17F6NO3S/c23-21(24,25)20(30,22(26,27)28)17-11-13-18(14-12-17)29(15-16-7-3-1-4-8-16)33(31,32)19-9-5-2-6-10-19/h1-14,30H,15H2
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n/an/a 467n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444346
PNG
(CHEMBL3094378)
Show SMILES OC(c1ccc(cc1)N(CCC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c19-15(20,21)10-11-28(32(30,31)14-4-2-1-3-5-14)13-8-6-12(7-9-13)16(29,17(22,23)24)18(25,26)27/h1-9,29H,10-11H2
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n/an/a 519n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444349
PNG
(CHEMBL3094372)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)Cc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c19-15(20,21)11-28(32(30,31)10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)16(29,17(22,23)24)18(25,26)27/h1-9,29H,10-11H2
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n/an/a 520n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444337
PNG
(CHEMBL3094365)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-4-2-1-3-11(14)9-28)13-7-5-12(6-8-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/a 520n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444332
PNG
(CHEMBL3094370)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F9N2O3S/c17-13(18,19)9-27(31(29,30)12-2-1-7-26-8-12)11-5-3-10(4-6-11)14(28,15(20,21)22)16(23,24)25/h1-8,28H,9H2
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n/an/a 748n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50179880
PNG
(1,1,1,3,3,3-hexafluoro-2-(1-(phenylsulfonyl)indoli...)
Show SMILES OC(c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13F6NO3S/c18-16(19,20)15(25,17(21,22)23)12-6-7-14-11(10-12)8-9-24(14)28(26,27)13-4-2-1-3-5-13/h1-7,10,25H,8-9H2
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n/an/a 883n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444344
PNG
(CHEMBL3094380)
Show SMILES COC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c1-31-16(17(22,23)24,18(25,26)27)12-7-9-13(10-8-12)28(11-15(19,20)21)32(29,30)14-5-3-2-4-6-14/h2-10H,11H2,1H3
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n/an/a 900n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444338
PNG
(CHEMBL3094388)
Show SMILES CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H13F6N3O4S2/c1-7-11(29-12(22-7)23-8(2)25)30(27,28)24-10-5-3-9(4-6-10)13(26,14(16,17)18)15(19,20)21/h3-6,24,26H,1-2H3,(H,22,23,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444339
PNG
(CHEMBL3094385)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)C(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H12F9NO2/c19-15(20,21)10-28(14(29)11-4-2-1-3-5-11)13-8-6-12(7-9-13)16(30,17(22,23)24)18(25,26)27/h1-9,30H,10H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444347
PNG
(CHEMBL3094374)
Show SMILES COCCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H17F6NO4S/c1-29-12-11-25(30(27,28)15-5-3-2-4-6-15)14-9-7-13(8-10-14)16(26,17(19,20)21)18(22,23)24/h2-10,26H,11-12H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444348
PNG
(CHEMBL3094373)
Show SMILES OCCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO4S/c18-16(19,20)15(26,17(21,22)23)12-6-8-13(9-7-12)24(10-11-25)29(27,28)14-4-2-1-3-5-14/h1-9,25-26H,10-11H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444355
PNG
(CHEMBL3094371)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C1CC1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H12F9NO3S/c15-11(16,17)7-24(28(26,27)10-5-6-10)9-3-1-8(2-4-9)12(25,13(18,19)20)14(21,22)23/h1-4,10,25H,5-7H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444342
PNG
(CHEMBL3094383)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H13F3N2O4S2/c15-14(16,17)10-19(25(22,23)13-4-2-1-3-5-13)11-6-8-12(9-7-11)24(18,20)21/h1-9H,10H2,(H2,18,20,21)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444340
PNG
(CHEMBL3094376)
Show SMILES CC(=O)NCCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H18F6N2O4S/c1-13(28)26-11-12-27(32(30,31)16-5-3-2-4-6-16)15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h2-10,29H,11-12H2,1H3,(H,26,28)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444351
PNG
(CHEMBL3094386)
Show SMILES OC(c1ccc(NC(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F6NO2/c17-15(18,19)14(25,16(20,21)22)11-6-8-12(9-7-11)23-13(24)10-4-2-1-3-5-10/h1-9,25H,(H,23,24)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444343
PNG
(CHEMBL3094375)
Show SMILES CS(=O)(=O)CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H17F6NO5S2/c1-31(27,28)12-11-25(32(29,30)15-5-3-2-4-6-15)14-9-7-13(8-10-14)16(26,17(19,20)21)18(22,23)24/h2-10,26H,11-12H2,1H3
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Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM21667
PNG
(N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethy...)
Show SMILES OCc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H14F3NO3S/c16-15(17,18)11-19(13-8-6-12(10-20)7-9-13)23(21,22)14-4-2-1-3-5-14/h1-9,20H,10-11H2
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Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444352
PNG
(CHEMBL3094382)
Show SMILES NC(=O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13F3N2O3S/c16-15(17,18)10-20(12-8-6-11(7-9-12)14(19)21)24(22,23)13-4-2-1-3-5-13/h1-9H,10H2,(H2,19,21)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444354
PNG
(CHEMBL3094377)
Show SMILES OC(=O)CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15F6NO5S/c19-17(20,21)16(28,18(22,23)24)12-6-8-13(9-7-12)25(11-10-15(26)27)31(29,30)14-4-2-1-3-5-14/h1-9,28H,10-11H2,(H,26,27)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444353
PNG
(CHEMBL3094381)
Show SMILES OC(=O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H12F3NO4S/c16-15(17,18)10-19(12-8-6-11(7-9-12)14(20)21)24(22,23)13-4-2-1-3-5-13/h1-9H,10H2,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444350
PNG
(CHEMBL3094387)
Show SMILES OC(c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H10F9NO2/c18-15(19,20)11-3-1-9(2-4-11)13(28)27-12-7-5-10(6-8-12)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28)
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Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50179867
PNG
(CHEMBL382792 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OC(c1ccc(NS(=O)(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H11F6NO3S/c16-14(17,18)13(23,15(19,20)21)10-6-8-11(9-7-10)22-26(24,25)12-4-2-1-3-5-12/h1-9,22-23H
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Genentech

Curated by ChEMBL


Assay Description
Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444340
PNG
(CHEMBL3094376)
Show SMILES CC(=O)NCCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H18F6N2O4S/c1-13(28)26-11-12-27(32(30,31)16-5-3-2-4-6-16)15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h2-10,29H,11-12H2,1H3,(H,26,28)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444342
PNG
(CHEMBL3094383)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H13F3N2O4S2/c15-14(16,17)10-19(25(22,23)13-4-2-1-3-5-13)11-6-8-12(9-7-11)24(18,20)21/h1-9H,10H2,(H2,18,20,21)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444344
PNG
(CHEMBL3094380)
Show SMILES COC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c1-31-16(17(22,23)24,18(25,26)27)12-7-9-13(10-8-12)28(11-15(19,20)21)32(29,30)14-5-3-2-4-6-14/h2-10H,11H2,1H3
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n/an/an/an/a 9.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444332
PNG
(CHEMBL3094370)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F9N2O3S/c17-13(18,19)9-27(31(29,30)12-2-1-7-26-8-12)11-5-3-10(4-6-11)14(28,15(20,21)22)16(23,24)25/h1-8,28H,9H2
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444336
PNG
(CHEMBL3094366)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(c1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-3-1-2-11(8-14)9-28)13-6-4-12(5-7-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444352
PNG
(CHEMBL3094382)
Show SMILES NC(=O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13F3N2O3S/c16-15(17,18)10-20(12-8-6-11(7-9-12)14(19)21)24(22,23)13-4-2-1-3-5-13/h1-9H,10H2,(H2,19,21)
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Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 156n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dua...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))		BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))		BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 463n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444338
PNG
(CHEMBL3094388)
Show SMILES CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H13F6N3O4S2/c1-7-11(29-12(22-7)23-8(2)25)30(27,28)24-10-5-3-9(4-6-10)13(26,14(16,17)18)15(19,20)21/h3-6,24,26H,1-2H3,(H,22,23,25)
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n/an/an/an/a 911n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444347
PNG
(CHEMBL3094374)
Show SMILES COCCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H17F6NO4S/c1-29-12-11-25(30(27,28)15-5-3-2-4-6-15)14-9-7-13(8-10-14)16(26,17(19,20)21)18(22,23)24/h2-10,26H,11-12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444350
PNG
(CHEMBL3094387)
Show SMILES OC(c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H10F9NO2/c18-15(19,20)11-3-1-9(2-4-11)13(28)27-12-7-5-10(6-8-12)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444351
PNG
(CHEMBL3094386)
Show SMILES OC(c1ccc(NC(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F6NO2/c17-15(18,19)14(25,16(20,21)22)11-6-8-12(9-7-11)23-13(24)10-4-2-1-3-5-10/h1-9,25H,(H,23,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 246n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50444335
PNG
(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dua...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 373n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dua...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Nuclear receptor ROR-alpha


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 5.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444335
PNG
(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/an/an/a 192n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 54n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50444333
PNG
(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/an/an/a 719n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dua...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444333
PNG
(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/an/an/a 89n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444341
PNG
(CHEMBL3094384)
Show SMILES CCN(c1cccc(c1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-9-4-3-5-10-14)13-8-6-7-12(11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 900n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50179880
PNG
(1,1,1,3,3,3-hexafluoro-2-(1-(phenylsulfonyl)indoli...)
Show SMILES OC(c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13F6NO3S/c18-16(19,20)15(25,17(21,22)23)12-6-7-14-11(10-12)8-9-24(14)28(26,27)13-4-2-1-3-5-13/h1-7,10,25H,8-9H2
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n/an/an/an/a 5.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444345
PNG
(CHEMBL3094379)
Show SMILES OC(c1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H17F6NO3S/c23-21(24,25)20(30,22(26,27)28)17-11-13-18(14-12-17)29(15-16-7-3-1-4-8-16)33(31,32)19-9-5-2-6-10-19/h1-14,30H,15H2
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n/an/an/an/a 8.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444346
PNG
(CHEMBL3094378)
Show SMILES OC(c1ccc(cc1)N(CCC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c19-15(20,21)10-11-28(32(30,31)14-4-2-1-3-5-14)13-8-6-12(7-9-13)16(29,17(22,23)24)18(25,26)27/h1-9,29H,10-11H2
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n/an/an/an/a 4.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 39n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50444333
PNG
(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/an/an/a 194n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 36n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bile acid receptor


(Homo sapiens (Human))		BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 9.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50444335
PNG
(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/an/an/a 3.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444333
PNG
(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/an/an/a 19n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM21667
PNG
(N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethy...)
Show SMILES OCc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H14F3NO3S/c16-15(17,18)11-19(13-8-6-12(10-20)7-9-13)23(21,22)14-4-2-1-3-5-14/h1-9,20H,10-11H2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50444335
PNG
(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/an/an/a 902n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50444333
PNG
(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))		BDBM50444333
PNG
(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/an/an/a 6.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 593n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444348
PNG
(CHEMBL3094373)
Show SMILES OCCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO4S/c18-16(19,20)15(26,17(21,22)23)12-6-8-13(9-7-12)24(10-11-25)29(27,28)14-4-2-1-3-5-14/h1-9,25-26H,10-11H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444334
PNG
(CHEMBL3094368)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c1-11-2-8-14(9-3-11)32(30,31)28(10-15(19,20)21)13-6-4-12(5-7-13)16(29,17(22,23)24)18(25,26)27/h2-9,29H,10H2,1H3
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n/an/an/an/a 20n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50444335
PNG
(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/an/an/a 571n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))		BDBM50444335
PNG
(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/an/an/a 7.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444343
PNG
(CHEMBL3094375)
Show SMILES CS(=O)(=O)CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H17F6NO5S2/c1-31(27,28)12-11-25(32(29,30)15-5-3-2-4-6-15)14-9-7-13(8-10-14)16(26,17(19,20)21)18(22,23)24/h2-10,26H,11-12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444335
PNG
(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/an/an/a 61n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444354
PNG
(CHEMBL3094377)
Show SMILES OC(=O)CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15F6NO5S/c19-17(20,21)16(28,18(22,23)24)12-6-8-13(9-7-12)25(11-10-15(26)27)31(29,30)14-4-2-1-3-5-14/h1-9,28H,10-11H2,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50444333
PNG
(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/an/an/a 385n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))		BDBM50444333
PNG
(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/an/an/a 6.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444339
PNG
(CHEMBL3094385)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)C(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H12F9NO2/c19-15(20,21)10-28(14(29)11-4-2-1-3-5-11)13-8-6-12(7-9-13)16(30,17(22,23)24)18(25,26)27/h1-9,30H,10H2
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n/an/an/an/a 4.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 190n/an/an/an/a



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Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444349
PNG
(CHEMBL3094372)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)Cc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c19-15(20,21)11-28(32(30,31)10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)16(29,17(22,23)24)18(25,26)27/h1-9,29H,10-11H2
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n/an/an/an/a>2.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444337
PNG
(CHEMBL3094365)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-4-2-1-3-11(14)9-28)13-7-5-12(6-8-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/an/an/a 920n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50444353
PNG
(CHEMBL3094381)
Show SMILES OC(=O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H12F3NO4S/c16-15(17,18)10-19(12-8-6-11(7-9-12)14(20)21)24(22,23)13-4-2-1-3-5-13/h1-9H,10H2,(H,20,21)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))		BDBM50444335
PNG
(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/an/an/a 5.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))		BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 6.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...

Bioorg Med Chem Lett 23: 6604-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.054
BindingDB Entry DOI: 10.7270/Q2474CBT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%