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PubMed code 26321361

Compile data set for download or QSAR
Found 56 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))		BDBM50121938
PNG
(CHEMBL3617295)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121937
PNG
(CHEMBL3617294)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C23H20F2N2O3S/c1-15-7-11-18(12-8-15)31(29,30)27-13-3-4-16-9-10-17(14-21(16)27)26-23(28)22-19(24)5-2-6-20(22)25/h2,5-12,14H,3-4,13H2,1H3,(H,26,28)
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n/an/a 110n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121936
PNG
(CHEMBL3617293)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H18F2N2O3S/c23-18-9-4-10-19(24)21(18)22(27)25-16-12-11-15-6-5-13-26(20(15)14-16)30(28,29)17-7-2-1-3-8-17/h1-4,7-12,14H,5-6,13H2,(H,25,27)
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n/an/a 180n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121934
PNG
(CHEMBL1592140)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C20H16F2N2O3S2/c21-15-5-1-6-16(22)19(15)20(25)23-14-9-8-13-4-2-10-24(17(13)12-14)29(26,27)18-7-3-11-28-18/h1,3,5-9,11-12H,2,4,10H2,(H,23,25)
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n/an/a 1.10E+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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50121939
PNG
(CHEMBL3617297)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
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n/an/an/an/a 4.80E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human PXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121985
PNG
(CHEMBL3617307)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3F)cc12
Show InChI InChI=1S/C22H18F2N2O3S/c23-16-8-11-18(12-9-16)30(28,29)26-13-3-4-15-7-10-17(14-21(15)26)25-22(27)19-5-1-2-6-20(19)24/h1-2,5-12,14H,3-4,13H2,(H,25,27)
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n/an/an/an/a 420n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50121988
PNG
(CHEMBL3617309)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
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n/an/an/an/a 3.80E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity afte...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50044160
PNG
(CHEMBL3314003)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 820n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human PXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121989
PNG
(CHEMBL3617310)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccno3)cc12
Show InChI InChI=1S/C19H16FN3O4S/c20-14-4-7-16(8-5-14)28(25,26)23-11-1-2-13-3-6-15(12-17(13)23)22-19(24)18-9-10-21-27-18/h3-10,12H,1-2,11H2,(H,22,24)
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n/an/an/an/a 7.40E+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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121939
PNG
(CHEMBL3617297)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
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n/an/an/an/a 86n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50121939
PNG
(CHEMBL3617297)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity aft...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121940
PNG
(CHEMBL3617298)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C23H19F3N2O3S/c24-16-8-11-18(12-9-16)32(30,31)28-13-2-1-4-15-7-10-17(14-21(15)28)27-23(29)22-19(25)5-3-6-20(22)26/h3,5-12,14H,1-2,4,13H2,(H,27,29)
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n/an/an/an/a 230n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50044160
PNG
(CHEMBL3314003)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity afte...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121992
PNG
(CHEMBL3617313)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc12
Show InChI InChI=1S/C21H19FN2O4S2/c22-17-9-12-20(13-10-17)30(27,28)24-14-4-5-16-8-11-18(15-21(16)24)23-29(25,26)19-6-2-1-3-7-19/h1-3,6-13,15,23H,4-5,14H2
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n/an/an/an/a 570n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121936
PNG
(CHEMBL3617293)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H18F2N2O3S/c23-18-9-4-10-19(24)21(18)22(27)25-16-12-11-15-6-5-13-26(20(15)14-16)30(28,29)17-7-2-1-3-8-17/h1-4,7-12,14H,5-6,13H2,(H,25,27)
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n/an/an/an/a 230n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121938
PNG
(CHEMBL3617295)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 6.60E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121939
PNG
(CHEMBL3617297)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121949
PNG
(CHEMBL3617300)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2cc(NC(=O)c3c(F)cccc3F)ccc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-6-9-17(10-7-15)31(29,30)27-12-2-3-14-13-16(8-11-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121983
PNG
(CHEMBL3617305)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H18F2N2O3S/c23-17-6-3-16(4-7-17)22(27)25-19-10-5-15-2-1-13-26(21(15)14-19)30(28,29)20-11-8-18(24)9-12-20/h3-12,14H,1-2,13H2,(H,25,27)
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n/an/an/an/a 1.70E+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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121988
PNG
(CHEMBL3617309)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
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n/an/an/an/a 43n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))		BDBM50121988
PNG
(CHEMBL3617309)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
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n/an/an/an/a 200n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50121988
PNG
(CHEMBL3617309)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity aft...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))		BDBM50044160
PNG
(CHEMBL3314003)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))		BDBM50121939
PNG
(CHEMBL3617297)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
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n/an/an/an/a 280n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))		BDBM50121939
PNG
(CHEMBL3617297)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
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n/an/an/an/a 7.90E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50121988
PNG
(CHEMBL3617309)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
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n/an/an/an/a 940n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human PXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50044160
PNG
(CHEMBL3314003)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 3.90E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121938
PNG
(CHEMBL3617295)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 26n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))		BDBM50121938
PNG
(CHEMBL3617295)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 86n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))		BDBM50121938
PNG
(CHEMBL3617295)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 5.40E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121974
PNG
(CHEMBL3617301)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCCc2cc(NC(=O)c3c(F)cccc3F)ccc12
Show InChI InChI=1S/C23H19F3N2O3S/c24-16-7-10-18(11-8-16)32(30,31)28-13-2-1-4-15-14-17(9-12-21(15)28)27-23(29)22-19(25)5-3-6-20(22)26/h3,5-12,14H,1-2,4,13H2,(H,27,29)
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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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121976
PNG
(CHEMBL3617302)
Show SMILES CC(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN2O3S/c1-12(21)19-15-7-4-13-3-2-10-20(17(13)11-15)24(22,23)16-8-5-14(18)6-9-16/h4-9,11H,2-3,10H2,1H3,(H,19,21)
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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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121979
PNG
(CHEMBL3617303)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)C3CC3)cc12
Show InChI InChI=1S/C19H19FN2O3S/c20-15-6-9-17(10-7-15)26(24,25)22-11-1-2-13-5-8-16(12-18(13)22)21-19(23)14-3-4-14/h5-10,12,14H,1-4,11H2,(H,21,23)
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n/an/an/an/a 3.60E+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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121984
PNG
(CHEMBL3617306)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3cccc(F)c3)cc12
Show InChI InChI=1S/C22H18F2N2O3S/c23-17-7-10-20(11-8-17)30(28,29)26-12-2-4-15-6-9-19(14-21(15)26)25-22(27)16-3-1-5-18(24)13-16/h1,3,5-11,13-14H,2,4,12H2,(H,25,27)
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n/an/an/an/a 470n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121941
PNG
(CHEMBL3617299)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2cc(NC(=O)c3c(F)cccc3F)ccc12
Show InChI InChI=1S/C21H15F3N2O3S/c22-14-4-7-16(8-5-14)30(28,29)26-11-10-13-12-15(6-9-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
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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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-beta


(Homo sapiens (Human))		BDBM50121988
PNG
(CHEMBL3617309)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
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n/an/an/an/a 4.10E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50044160
PNG
(CHEMBL3314003)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 11n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121993
PNG
(CHEMBL3617296)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc2CCCN(C(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C23H18F2N2O2/c24-18-9-4-10-19(25)21(18)22(28)26-17-12-11-15-8-5-13-27(20(15)14-17)23(29)16-6-2-1-3-7-16/h1-4,6-7,9-12,14H,5,8,13H2,(H,26,28)
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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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50121938
PNG
(CHEMBL3617295)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 4.10E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity aft...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50121939
PNG
(CHEMBL3617297)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
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n/an/an/an/a 5.70E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity afte...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50121939
PNG
(CHEMBL3617297)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C21H15F3N2O3S/c22-14-5-8-16(9-6-14)30(28,29)26-11-10-13-4-7-15(12-19(13)26)25-21(27)20-17(23)2-1-3-18(20)24/h1-9,12H,10-11H2,(H,25,27)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human FXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121988
PNG
(CHEMBL3617309)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50121988
PNG
(CHEMBL3617309)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3Cl)cc12
Show InChI InChI=1S/C22H18ClFN2O3S/c23-20-6-2-1-5-19(20)22(27)25-17-10-7-15-4-3-13-26(21(15)14-17)30(28,29)18-11-8-16(24)9-12-18/h1-2,5-12,14H,3-4,13H2,(H,25,27)
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n/an/an/an/a 5.90E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human FXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))		BDBM50044160
PNG
(CHEMBL3314003)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 3.90E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity aft...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121991
PNG
(CHEMBL3617312)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3cnccn3)cc12
Show InChI InChI=1S/C20H17FN4O3S/c21-15-4-7-17(8-5-15)29(27,28)25-11-1-2-14-3-6-16(12-19(14)25)24-20(26)18-13-22-9-10-23-18/h3-10,12-13H,1-2,11H2,(H,24,26)
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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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121937
PNG
(CHEMBL3617294)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C23H20F2N2O3S/c1-15-7-11-18(12-8-15)31(29,30)27-13-3-4-16-9-10-17(14-21(16)27)26-23(28)22-19(24)5-2-6-20(22)25/h2,5-12,14H,3-4,13H2,1H3,(H,26,28)
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n/an/an/an/a 150n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50121938
PNG
(CHEMBL3617295)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human PXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121982
PNG
(CHEMBL3617304)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccccc3)cc12
Show InChI InChI=1S/C22H19FN2O3S/c23-18-9-12-20(13-10-18)29(27,28)25-14-4-7-16-8-11-19(15-21(16)25)24-22(26)17-5-2-1-3-6-17/h1-3,5-6,8-13,15H,4,7,14H2,(H,24,26)
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n/an/an/an/a 550n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121986
PNG
(CHEMBL3617308)
Show SMILES Cc1ccccc1C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN2O3S/c1-16-5-2-3-7-21(16)23(27)25-19-11-8-17-6-4-14-26(22(17)15-19)30(28,29)20-12-9-18(24)10-13-20/h2-3,5,7-13,15H,4,6,14H2,1H3,(H,25,27)
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n/an/an/an/a 120n/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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))		BDBM50044160
PNG
(CHEMBL3314003)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 29n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50044160
PNG
(CHEMBL3314003)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3Cl)cc12
Show InChI InChI=1S/C22H17ClF2N2O3S/c23-18-4-1-5-19(25)21(18)22(28)26-16-9-6-14-3-2-12-27(20(14)13-16)31(29,30)17-10-7-15(24)8-11-17/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 5.30E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human FXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))		BDBM50121938
PNG
(CHEMBL3617295)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 7.60E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human FXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))		BDBM50121938
PNG
(CHEMBL3617295)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C22H17F3N2O3S/c23-15-7-10-17(11-8-15)31(29,30)27-12-2-3-14-6-9-16(13-20(14)27)26-22(28)21-18(24)4-1-5-19(21)25/h1,4-11,13H,2-3,12H2,(H,26,28)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Antagonist activity at GAL4-fused human LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity afte...

Bioorg Med Chem Lett 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121990
PNG
(CHEMBL3617311)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccc(NC(=O)c3ccncc3)cc12
Show InChI InChI=1S/C21H18FN3O3S/c22-17-4-7-19(8-5-17)29(27,28)25-13-1-2-15-3-6-18(14-20(15)25)24-21(26)16-9-11-23-12-10-16/h3-12,14H,1-2,13H2,(H,24,26)
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n/an/an/an/a 6.80E+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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121934
PNG
(CHEMBL1592140)
Show SMILES Fc1cccc(F)c1C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C20H16F2N2O3S2/c21-15-5-1-6-16(22)19(15)20(25)23-14-9-8-13-4-2-10-24(17(13)12-14)29(26,27)18-7-3-11-28-18/h1,3,5-9,11-12H,2,4,10H2,(H,23,25)
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n/an/an/an/a 2.10E+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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))		BDBM50121935
PNG
(CHEMBL3617292)
Show SMILES CS(=O)(=O)N1CCCc2ccc(NC(=O)c3c(F)cccc3F)cc12
Show InChI InChI=1S/C17H16F2N2O3S/c1-25(23,24)21-9-3-4-11-7-8-12(10-15(11)21)20-17(22)16-13(18)5-2-6-14(16)19/h2,5-8,10H,3-4,9H2,1H3,(H,20,22)
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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 25: 4109-13 (2015)


Article DOI: 10.1016/j.bmcl.2015.08.028
BindingDB Entry DOI: 10.7270/Q251411W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%