Compile Data Set for Download or QSAR

PubMed code 26321361

Found 56 hits of Enzyme Inhibition Constant Data   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121938(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)
Affinity DataIC50: 50nMAssay Description:Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121937(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)
Affinity DataIC50: 110nMAssay Description:Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121936(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)
Affinity DataIC50: 180nMAssay Description:Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121934(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)
Affinity DataIC50: 1.10E+3nMAssay Description:Displacement of [3H2]-25-hydroxycholesterol from N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial express...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121939(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)
Affinity DataEC50:  4.80E+3nMAssay Description:Antagonist activity at GAL4-fused human PXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121985(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)
Affinity DataEC50:  420nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121988(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)
Affinity DataEC50:  3.80E+3nMAssay Description:Antagonist activity at GAL4-fused human LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity afte...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50044160(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)
Affinity DataEC50:  820nMAssay Description:Antagonist activity at GAL4-fused human PXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121989(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)
Affinity DataEC50:  7.40E+3nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121939(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)
Affinity DataEC50:  86nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121939(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)
Affinity DataEC50:  4.20E+3nMAssay Description:Antagonist activity at GAL4-fused human LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity aft...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121940(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)
Affinity DataEC50:  230nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50044160(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)
Affinity DataEC50:  2.60E+3nMAssay Description:Antagonist activity at GAL4-fused human LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity afte...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121992(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
Affinity DataEC50:  570nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121936(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)
Affinity DataEC50:  230nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121938(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)
Affinity DataEC50:  6.60E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121939(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)
Affinity DataEC50:  1.20E+4nMAssay Description:Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121949(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)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121983(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)
Affinity DataEC50:  1.70E+3nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121988(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)
Affinity DataEC50:  43nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121988(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)
Affinity DataEC50:  200nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121988(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)
Affinity DataEC50:  2.60E+3nMAssay Description:Antagonist activity at GAL4-fused human LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity aft...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50044160(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)
Affinity DataEC50:  3.40E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121939(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)
Affinity DataEC50:  280nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121939(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)
Affinity DataEC50:  7.90E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121988(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)
Affinity DataEC50:  940nMAssay Description:Antagonist activity at GAL4-fused human PXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50044160(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)
Affinity DataEC50:  3.90E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121938(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)
Affinity DataEC50:  26nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121938(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)
Affinity DataEC50:  86nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121938(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)
Affinity DataEC50:  5.40E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121974(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)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121976(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)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121979(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)
Affinity DataEC50:  3.60E+3nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121984(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)
Affinity DataEC50:  470nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121941(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)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121988(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)
Affinity DataEC50:  4.10E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORb expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50044160(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)
Affinity DataEC50:  11nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121993(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)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121938(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)
Affinity DataEC50:  4.10E+3nMAssay Description:Antagonist activity at GAL4-fused human LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity aft...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50121939(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)
Affinity DataEC50:  5.70E+3nMAssay Description:Antagonist activity at GAL4-fused human LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity afte...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50121939(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)
Affinity DataEC50:  4.20E+3nMAssay Description:Antagonist activity at GAL4-fused human FXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121988(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)
Affinity DataEC50:  3.30E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORc expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
TargetBile acid receptor(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121988(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)
Affinity DataEC50:  5.90E+3nMAssay Description:Antagonist activity at GAL4-fused human FXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50044160(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)
Affinity DataEC50:  3.90E+3nMAssay Description:Antagonist activity at GAL4-fused human LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity aft...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121991(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)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121937(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)
Affinity DataEC50:  150nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121938(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)
Affinity DataEC50:  1.10E+3nMAssay Description:Antagonist activity at GAL4-fused human PXR expressed in HEK293 cells assessed as inhibition of T0901317-stimulated transcriptional activity after 20...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121982(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)
Affinity DataEC50:  550nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50121986(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)
Affinity DataEC50:  120nMAssay Description:Inverse agonist activity at N-terminal 6xHis-tagged human RORc ligand binding domain (241 to 486) expressed in bacterial expression system assessed a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50044160(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)
Affinity DataEC50:  29nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as suppression of basal transcriptional activity after 20 hrs by...More data for this Ligand-Target Pair
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