Compile Data Set for Download or QSAR

PubMed code 24685544

Found 75 hits of Enzyme Inhibition Constant Data   

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

Curated by ChEMBL
LigandPNGBDBM50012130(CHEMBL3263710)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)31(3,27)28/h4-16,20H,17-19H2,1-3H3
Affinity DataIC50: 32nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012126(CHEMBL3263716)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)C(N)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H28N2O3S/c1-19(2)16-27(31(29,30)18-21-6-4-3-5-7-21)17-20-8-10-22(11-9-20)23-12-14-24(15-13-23)25(26)28/h3-15,19H,16-18H2,1-2H3,(H2,26,28)
Affinity DataIC50: 33nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012124(CHEMBL3263714)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H30N2O4S2/c1-20(2)17-27(33(30,31)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-32(3,28)29/h4-16,20,26H,17-19H2,1-3H3
Affinity DataIC50: 46nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012133(CHEMBL3263699)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H28N2O4S3/c1-18(2)15-25(32(28,29)17-19-7-5-4-6-8-19)16-22-13-14-23(30-22)20-9-11-21(12-10-20)24-31(3,26)27/h4-14,18,24H,15-17H2,1-3H3
Affinity DataIC50: 71nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012129(CHEMBL3264012)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1cccc(CC(N)=O)c1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H30N2O3S/c1-20(2)17-28(32(30,31)19-22-7-4-3-5-8-22)18-21-11-13-24(14-12-21)25-10-6-9-23(15-25)16-26(27)29/h3-15,20H,16-19H2,1-2H3,(H2,27,29)
Affinity DataIC50: 91nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012125(CHEMBL3263715)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H28N2O4S2/c1-19(2)16-26(31(27,28)18-21-6-4-3-5-7-21)17-20-8-10-22(11-9-20)23-12-14-24(15-13-23)32(25,29)30/h3-15,19H,16-18H2,1-2H3,(H2,25,29,30)
Affinity DataIC50: 120nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012123(CHEMBL3263696)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-7-5-4-6-8-19)16-21-11-14-23(29-21)20-9-12-22(13-10-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
Affinity DataIC50: 130nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012134(CHEMBL3263700)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(cc1)C(N)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H26N2O3S2/c1-17(2)14-25(30(27,28)16-18-6-4-3-5-7-18)15-21-12-13-22(29-21)19-8-10-20(11-9-19)23(24)26/h3-13,17H,14-16H2,1-2H3,(H2,24,26)
Affinity DataIC50: 160nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012122(CHEMBL3263695)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1cccc(c1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-8-5-4-6-9-19)16-21-12-13-23(29-21)20-10-7-11-22(14-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
Affinity DataIC50: 370nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012122(CHEMBL3263695)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1cccc(c1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-8-5-4-6-9-19)16-21-12-13-23(29-21)20-10-7-11-22(14-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
Affinity DataIC50: 450nMAssay Description:Displacement of [3H]T0901317 from LXRbeta (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012135(CHEMBL3263701)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(cc1)C(=O)N(C)C)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H30N2O3S2/c1-19(2)16-27(32(29,30)18-20-8-6-5-7-9-20)17-23-14-15-24(31-23)21-10-12-22(13-11-21)25(28)26(3)4/h5-15,19H,16-18H2,1-4H3
Affinity DataIC50: 610nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012142(CHEMBL3263711)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(nc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H28N2O4S2/c1-19(2)16-26(32(29,30)18-21-7-5-4-6-8-21)17-20-9-11-22(12-10-20)23-13-14-24(25-15-23)31(3,27)28/h4-15,19H,16-18H2,1-3H3
Affinity DataIC50: 650nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012132(CHEMBL3263698)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1cccc(NS(C)(=O)=O)c1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H28N2O4S3/c1-18(2)15-25(32(28,29)17-19-8-5-4-6-9-19)16-22-12-13-23(30-22)20-10-7-11-21(14-20)24-31(3,26)27/h4-14,18,24H,15-17H2,1-3H3
Affinity DataIC50: 920nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012127(CHEMBL3263717)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(CNC(C)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C27H32N2O3S/c1-21(2)18-29(33(31,32)20-25-7-5-4-6-8-25)19-24-11-15-27(16-12-24)26-13-9-23(10-14-26)17-28-22(3)30/h4-16,21H,17-20H2,1-3H3,(H,28,30)
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012131(CHEMBL3263697)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccccc1NS(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H28N2O4S3/c1-18(2)15-25(32(28,29)17-19-9-5-4-6-10-19)16-20-13-14-23(30-20)21-11-7-8-12-22(21)24-31(3,26)27/h4-14,18,24H,15-17H2,1-3H3
Affinity DataIC50: 1.10E+3nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012143(CHEMBL3263712)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cn1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H28N2O4S2/c1-19(2)16-26(32(29,30)18-21-7-5-4-6-8-21)17-20-9-11-22(12-10-20)24-14-13-23(15-25-24)31(3,27)28/h4-15,19H,16-18H2,1-3H3
Affinity DataIC50: 1.40E+3nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012138(CHEMBL3263704)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(N)nc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H25N3O2S2/c1-16(2)13-24(28(25,26)15-17-6-4-3-5-7-17)14-19-9-10-20(27-19)18-8-11-21(22)23-12-18/h3-12,16H,13-15H2,1-2H3,(H2,22,23)
Affinity DataIC50: 1.50E+3nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012128(CHEMBL3264011)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(CC(N)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C26H30N2O3S/c1-20(2)17-28(32(30,31)19-23-6-4-3-5-7-23)18-22-10-14-25(15-11-22)24-12-8-21(9-13-24)16-26(27)29/h3-15,20H,16-19H2,1-2H3,(H2,27,29)
Affinity DataIC50: 1.80E+3nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012139(CHEMBL3263707)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1c(C)noc1C)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H26N2O3S2/c1-15(2)12-23(28(24,25)14-18-8-6-5-7-9-18)13-19-10-11-20(27-19)21-16(3)22-26-17(21)4/h5-11,15H,12-14H2,1-4H3
Affinity DataIC50: 2.00E+3nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012137(CHEMBL3263703)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(=O)[nH]c1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H24N2O3S2/c1-16(2)13-23(28(25,26)15-17-6-4-3-5-7-17)14-19-9-10-20(27-19)18-8-11-21(24)22-12-18/h3-12,16H,13-15H2,1-2H3,(H,22,24)
Affinity DataIC50: 3.60E+3nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012136(CHEMBL3263702)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(CN)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H28N2O2S2/c1-18(2)15-25(29(26,27)17-20-6-4-3-5-7-20)16-22-12-13-23(28-22)21-10-8-19(14-24)9-11-21/h3-13,18H,14-17,24H2,1-2H3
Affinity DataIC50: 5.40E+3nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012144(CHEMBL3263713)
Show SMILES CC(C)CN(Cc1cnc(cn1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27N3O4S2/c1-18(2)15-26(32(29,30)17-19-7-5-4-6-8-19)16-21-13-25-23(14-24-21)20-9-11-22(12-10-20)31(3,27)28/h4-14,18H,15-17H2,1-3H3
Affinity DataIC50: 5.50E+3nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012146(CHEMBL3263706)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1cncnc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C20H23N3O2S2/c1-16(2)12-23(27(24,25)14-17-6-4-3-5-7-17)13-19-8-9-20(26-19)18-10-21-15-22-11-18/h3-11,15-16H,12-14H2,1-2H3
Affinity DataIC50: 7.00E+3nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012145(CHEMBL3263705)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(nc1)C#N)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C22H23N3O2S2/c1-17(2)14-25(29(26,27)16-18-6-4-3-5-7-18)15-21-10-11-22(28-21)19-8-9-20(12-23)24-13-19/h3-11,13,17H,14-16H2,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012140(CHEMBL3263708)
Show SMILES CC(C)CN(Cc1cnc(s1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C22H26N2O4S3/c1-17(2)14-24(31(27,28)16-18-7-5-4-6-8-18)15-20-13-23-22(29-20)19-9-11-21(12-10-19)30(3,25)26/h4-13,17H,14-16H2,1-3H3
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012141(CHEMBL3263709)
Show SMILES CC(C)CN(Cc1cccc(c1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-21-8-5-4-6-9-21)18-22-10-7-11-24(16-22)23-12-14-25(15-13-23)31(3,27)28/h4-16,20H,17-19H2,1-3H3
Affinity DataIC50: 1.00E+4nMAssay Description:Displacement of [3H2]25-hydroxycholesterol from human RORc-LBD after 3 hrs by scintillation countingMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012122(CHEMBL3263695)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1cccc(c1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-8-5-4-6-9-19)16-21-12-13-23(29-21)20-10-7-11-22(14-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
Affinity DataIC50: 2.90E+4nMAssay Description:Displacement of [3H]T0901317 from LXRalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012130(CHEMBL3263710)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)31(3,27)28/h4-16,20H,17-19H2,1-3H3
Affinity DataEC50:  450nMAssay Description:Inverse agonist activity at human GAL4-fused RORc expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012123(CHEMBL3263696)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-7-5-4-6-8-19)16-21-11-14-23(29-21)20-9-12-22(13-10-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
Affinity DataEC50:  2.80E+3nMAssay Description:Inverse agonist activity at human GAL4-fused RORa expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012130(CHEMBL3263710)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)31(3,27)28/h4-16,20H,17-19H2,1-3H3
Affinity DataEC50:  2.50E+3nMAssay Description:Inverse agonist activity at human GAL4-fused LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-induced transcriptional activity af...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012131(CHEMBL3263697)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccccc1NS(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H28N2O4S3/c1-18(2)15-25(32(28,29)17-19-9-5-4-6-10-19)16-20-13-14-23(30-20)21-11-7-8-12-22(21)24-31(3,26)27/h4-14,18,24H,15-17H2,1-3H3
Affinity DataEC50:  1.60E+3nMAssay Description:Inverse agonist activity at an N-terminal 6xHis-GST-tag human RORc-LBD assessed as inhibition of recruitment of the SRC1 co-activator peptide after 3...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012143(CHEMBL3263712)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cn1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H28N2O4S2/c1-19(2)16-26(32(29,30)18-21-7-5-4-6-8-21)17-20-9-11-22(12-10-20)24-14-13-23(15-25-24)31(3,27)28/h4-15,19H,16-18H2,1-3H3
Affinity DataEC50:  1.10E+3nMAssay Description:Inverse agonist activity at an N-terminal 6xHis-GST-tag human RORc-LBD assessed as inhibition of recruitment of the SRC1 co-activator peptide after 3...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012127(CHEMBL3263717)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(CNC(C)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C27H32N2O3S/c1-21(2)18-29(33(31,32)20-25-7-5-4-6-8-25)19-24-11-15-27(16-12-24)26-13-9-23(10-14-26)17-28-22(3)30/h4-16,21H,17-20H2,1-3H3,(H,28,30)
Affinity DataEC50:  2.70E+3nMAssay Description:Inverse agonist activity at an N-terminal 6xHis-GST-tag human RORc-LBD assessed as inhibition of recruitment of the SRC1 co-activator peptide after 3...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012122(CHEMBL3263695)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1cccc(c1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-8-5-4-6-9-19)16-21-12-13-23(29-21)20-10-7-11-22(14-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
Affinity DataEC50:  2.40E+3nMAssay Description:Inverse agonist activity at human GAL4-fused RORc expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012130(CHEMBL3263710)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)31(3,27)28/h4-16,20H,17-19H2,1-3H3
Affinity DataEC50:  2.50E+3nMAssay Description:Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012124(CHEMBL3263714)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H30N2O4S2/c1-20(2)17-27(33(30,31)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-32(3,28)29/h4-16,20,26H,17-19H2,1-3H3
Affinity DataEC50:  3.70E+3nMAssay Description:Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012126(CHEMBL3263716)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)C(N)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H28N2O3S/c1-19(2)16-27(31(29,30)18-21-6-4-3-5-7-21)17-20-8-10-22(11-9-20)23-12-14-24(15-13-23)25(26)28/h3-15,19H,16-18H2,1-2H3,(H2,26,28)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at human GAL4-fused RORa expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012130(CHEMBL3263710)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)31(3,27)28/h4-16,20H,17-19H2,1-3H3
Affinity DataEC50:  2.30E+3nMAssay Description:Inverse agonist activity at human GAL4-fused LXRalpha expressed in HEK293 cells assessed as inhibition of T0901317-induced transcriptional activity a...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012122(CHEMBL3263695)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1cccc(c1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-8-5-4-6-9-19)16-21-12-13-23(29-21)20-10-7-11-22(14-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
Affinity DataEC50:  1.90E+3nMAssay Description:Inverse agonist activity at human GAL4-fused LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-induced transcriptional activity af...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012126(CHEMBL3263716)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)C(N)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H28N2O3S/c1-19(2)16-27(31(29,30)18-21-6-4-3-5-7-21)17-20-8-10-22(11-9-20)23-12-14-24(15-13-23)25(26)28/h3-15,19H,16-18H2,1-2H3,(H2,26,28)
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at human GAL4-fused LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-induced transcriptional activity af...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012137(CHEMBL3263703)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(=O)[nH]c1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C21H24N2O3S2/c1-16(2)13-23(28(25,26)15-17-6-4-3-5-7-17)14-19-9-10-20(27-19)18-8-11-21(24)22-12-18/h3-12,16H,13-15H2,1-2H3,(H,22,24)
Affinity DataEC50: >5.00E+3nMAssay Description:Inverse agonist activity at an N-terminal 6xHis-GST-tag human RORc-LBD assessed as inhibition of recruitment of the SRC1 co-activator peptide after 3...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012144(CHEMBL3263713)
Show SMILES CC(C)CN(Cc1cnc(cn1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27N3O4S2/c1-18(2)15-26(32(29,30)17-19-7-5-4-6-8-19)16-21-13-25-23(14-24-21)20-9-11-22(12-10-20)31(3,27)28/h4-14,18H,15-17H2,1-3H3
Affinity DataEC50:  3.80E+3nMAssay Description:Inverse agonist activity at an N-terminal 6xHis-GST-tag human RORc-LBD assessed as inhibition of recruitment of the SRC1 co-activator peptide after 3...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012124(CHEMBL3263714)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H30N2O4S2/c1-20(2)17-27(33(30,31)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-32(3,28)29/h4-16,20,26H,17-19H2,1-3H3
Affinity DataEC50:  32nMAssay Description:Inverse agonist activity at an N-terminal 6xHis-GST-tag human RORc-LBD assessed as inhibition of recruitment of the SRC1 co-activator peptide after 3...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012123(CHEMBL3263696)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-7-5-4-6-8-19)16-21-11-14-23(29-21)20-9-12-22(13-10-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
Affinity DataEC50:  1.00E+3nMAssay Description:Inverse agonist activity at human GAL4-fused RORc expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012124(CHEMBL3263714)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H30N2O4S2/c1-20(2)17-27(33(30,31)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-32(3,28)29/h4-16,20,26H,17-19H2,1-3H3
Affinity DataEC50:  3.80E+3nMAssay Description:Inverse agonist activity at human GAL4-fused RORa expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assayMore data for this Ligand-Target Pair
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012124(CHEMBL3263714)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H30N2O4S2/c1-20(2)17-27(33(30,31)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-32(3,28)29/h4-16,20,26H,17-19H2,1-3H3
Affinity DataEC50:  3.80E+3nMAssay Description:Inverse agonist activity at human GAL4-fused LXRbeta expressed in HEK293 cells assessed as inhibition of T0901317-induced transcriptional activity af...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012136(CHEMBL3263702)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(CN)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H28N2O2S2/c1-18(2)15-25(29(26,27)17-20-6-4-3-5-7-20)16-22-12-13-23(28-22)21-10-8-19(14-24)9-11-21/h3-13,18H,14-17,24H2,1-2H3
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at an N-terminal 6xHis-GST-tag human RORc-LBD assessed as inhibition of recruitment of the SRC1 co-activator peptide after 3...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012140(CHEMBL3263708)
Show SMILES CC(C)CN(Cc1cnc(s1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C22H26N2O4S3/c1-17(2)14-24(31(27,28)16-18-7-5-4-6-8-18)15-20-13-23-22(29-20)19-9-11-21(12-10-19)30(3,25)26/h4-13,17H,14-16H2,1-3H3
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at an N-terminal 6xHis-GST-tag human RORc-LBD assessed as inhibition of recruitment of the SRC1 co-activator peptide after 3...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012124(CHEMBL3263714)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H30N2O4S2/c1-20(2)17-27(33(30,31)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-32(3,28)29/h4-16,20,26H,17-19H2,1-3H3
Affinity DataEC50:  470nMAssay Description:Inverse agonist activity at human GAL4-fused RORc expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50012123(CHEMBL3263696)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-7-5-4-6-8-19)16-21-11-14-23(29-21)20-9-12-22(13-10-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
Affinity DataEC50:  2.20E+3nMAssay Description:Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assayMore data for this Ligand-Target Pair
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