Compile Data Set for Download or QSAR
Found 128 of ec50 for UniProtKB: P35398
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
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-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
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-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50108881(CHEMBL3596591)
Show SMILES NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29)
Affinity DataEC50:  390nMAssay Description:Inverse agonist activity at human ROR-alpha transfected in HEK293T cells by Gal4 luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50105930(CHEMBL3598049)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
Show InChI InChI=1S/C27H31ClFN5O2/c1-17(2)34-23(16-25(31-34)30-18(3)35)19-11-12-22(24(15-19)33-13-6-5-7-14-33)32(4)27(36)26-20(28)9-8-10-21(26)29/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,30,31,35)/i4D3
Affinity DataEC50:  1.10E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50105925(CHEMBL3598044)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC2CCC2)c1
Show InChI InChI=1S/C27H30ClFN4O3/c1-16(2)33-23(14-25(31-33)30-17(3)34)19-11-12-22(24(13-19)36-15-18-7-5-8-18)32(4)27(35)26-20(28)9-6-10-21(26)29/h6,9-14,16,18H,5,7-8,15H2,1-4H3,(H,30,31,34)/i4D3
Affinity DataEC50:  1.20E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50106002(CHEMBL3598070)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCCC1
Show InChI InChI=1S/C29H31ClFN5O2/c1-17(37)32-27-14-25(36(33-27)21-6-3-4-7-21)18-10-11-24(26(13-18)35-15-19-12-20(19)16-35)34(2)29(38)28-22(30)8-5-9-23(28)31/h5,8-11,13-14,19-21H,3-4,6-7,12,15-16H2,1-2H3,(H,32,33,37)
Affinity DataEC50:  1.30E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50105929(CHEMBL3598048)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCC1
Show InChI InChI=1S/C26H29ClFN5O2/c1-16(2)33-22(15-24(30-33)29-17(3)34)18-10-11-21(23(14-18)32-12-5-6-13-32)31(4)26(35)25-19(27)8-7-9-20(25)28/h7-11,14-16H,5-6,12-13H2,1-4H3,(H,29,30,34)/i4D3
Affinity DataEC50:  1.40E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50105981(CHEMBL3598052)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(Cl)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C27H29Cl2N5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)
Affinity DataEC50:  1.50E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50105928(CHEMBL3598047)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)
Affinity DataEC50:  1.60E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50106007(CHEMBL3598074)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC1CC1
Show InChI InChI=1S/C28H29ClFN5O2/c1-16(36)31-26-12-24(35(32-26)13-17-6-7-17)18-8-9-23(25(11-18)34-14-19-10-20(19)15-34)33(2)28(37)27-21(29)4-3-5-22(27)30/h3-5,8-9,11-12,17,19-20H,6-7,10,13-15H2,1-2H3,(H,31,32,36)
Affinity DataEC50:  1.80E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50105933(CHEMBL3598051)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)
Affinity DataEC50:  1.90E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50452782(CHEMBL4210791)
Show SMILES OC(c1ccc2N(CCSc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F7NO3S2/c18-11-2-4-12(5-3-11)30(27,28)25-7-8-29-14-9-10(1-6-13(14)25)15(26,16(19,20)21)17(22,23)24/h1-6,9,26H,7-8H2
Affinity DataEC50: >2.00E+3nMAssay Description:Inverse agonist activity at Gal4-tagged human RORalpha ligand binding domain expressed in human Jurkat cells by native IL17 promoter driven luciferas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50105982(CHEMBL3598053)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(C)cccc2F)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C28H32FN5O2/c1-16(2)34-24(13-26(31-34)30-18(4)35)19-9-10-23(25(12-19)33-14-20-11-21(20)15-33)32(5)28(36)27-17(3)7-6-8-22(27)29/h6-10,12-13,16,20-21H,11,14-15H2,1-5H3,(H,30,31,35)
Affinity DataEC50:  2.00E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50105932(CHEMBL3598050)
Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1-c1ccccc1)-c1cc(NC(C)=O)nn1C(C)C
Show InChI InChI=1S/C28H26ClFN4O2/c1-17(2)34-25(16-26(32-34)31-18(3)35)20-13-14-24(21(15-20)19-9-6-5-7-10-19)33(4)28(36)27-22(29)11-8-12-23(27)30/h5-17H,1-4H3,(H,31,32,35)/i4D3
Affinity DataEC50:  2.10E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50106011(CHEMBL3598077)
Show SMILES CC(C)c1nc(NC(C)=O)sc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
Show InChI InChI=1S/C26H29ClFN5O2S/c1-15(2)22-23(36-26(31-22)30-16(3)34)17-13-20(33-11-6-5-7-12-33)24(29-14-17)32(4)25(35)21-18(27)9-8-10-19(21)28/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,30,31,34)
Affinity DataEC50:  2.20E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-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:  2.40E+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
TargetNuclear receptor ROR-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:  2.40E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-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:  2.40E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More 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
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
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50452782(CHEMBL4210791)
Show SMILES OC(c1ccc2N(CCSc2c1)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F7NO3S2/c18-11-2-4-12(5-3-11)30(27,28)25-7-8-29-14-9-10(1-6-13(14)25)15(26,16(19,20)21)17(22,23)24/h1-6,9,26H,7-8H2
Affinity DataEC50: >4.00E+3nMAssay Description:Agonist activity at Gal4-tagged human RORalpha ligand binding domain expressed in human Jurkat cells by native IL17 promoter driven luciferase report...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50545542(CHEMBL4641912)
Show SMILES C[C@@]1(CC[C@@H](CC1)C(O)=O)C(=O)N1CC[C@@]2([C@H]1CCc1cc(OCc3c(F)cccc3C(F)(F)F)ccc21)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C35H34F5NO6S/c1-33(15-13-21(14-16-33)31(42)43)32(44)41-18-17-34(48(45,46)25-9-6-23(36)7-10-25)27-11-8-24(19-22(27)5-12-30(34)41)47-20-26-28(35(38,39)40)3-2-4-29(26)37/h2-4,6-11,19,21,30H,5,12-18,20H2,1H3,(H,42,43)/t21-,30-,33-,34-/m1/s1
Affinity DataEC50:  4.20E+3nMAssay Description:Agonist activity at Gal4-fused RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNuclear receptor ROR-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 DataEC50:  4.20E+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
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434246(CHEMBL2385087)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H22N2O4/c1-3-26-20(24)18-14(2)22-21(25)23-19(18)16-9-11-17(12-10-16)27-13-15-7-5-4-6-8-15/h4-12,18-19H,3,13H2,1-2H3,(H,23,25)
Affinity DataEC50:  4.30E+3nMAssay Description:Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50035907(CHEMBL3361050)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H32F3N3O4S2/c1-18(2)16-30(17-19-6-4-5-7-23(19)24(25,26)27)36(33,34)22-10-8-20(9-11-22)28-21-12-14-29(15-13-21)35(3,31)32/h4-11,18,21,28H,12-17H2,1-3H3
Affinity DataEC50:  4.40E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM19993(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
Affinity DataEC50:  5.00E+3nMAssay Description:Agonist activity at RoRa (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 NR reporter cell-based assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50426729(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
Affinity DataEC50:  5.00E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM19993(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
Affinity DataEC50:  5.00E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536791(CHEMBL4579711)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30FN3O3S/c1-18-8-11-24(20-6-4-3-5-7-20)32(30,31)28(18)17-21-9-10-22(16-23(21)25)27-14-12-26(13-15-27)19(2)29/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3/t18-,24+/m0/s1
Affinity DataEC50:  5.40E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434238(CHEMBL2385748)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1cc(OC)c(OCc2ccccc2Cl)cc1Cl
Show InChI InChI=1S/C22H22Cl2N2O5/c1-4-30-21(27)19-12(2)25-22(28)26-20(19)14-9-17(29-3)18(10-16(14)24)31-11-13-7-5-6-8-15(13)23/h5-10,19-20H,4,11H2,1-3H3,(H,26,28)
Affinity DataEC50:  5.50E+3nMAssay Description:Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50444333(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
Affinity DataEC50:  6.00E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50444333(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
Affinity DataEC50:  6.00E+3nMAssay Description:Agonist activity at RoRa (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 NR reporter cell-based assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50536796(CHEMBL4560046)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN2CCCC[C@H](c3ccccc3)S2(=O)=O)c(F)c1
Show InChI InChI=1S/C24H30FN3O3S/c1-19(29)26-13-15-27(16-14-26)22-11-10-21(23(25)17-22)18-28-12-6-5-9-24(32(28,30)31)20-7-3-2-4-8-20/h2-4,7-8,10-11,17,24H,5-6,9,12-16,18H2,1H3/t24-/m1/s1
Affinity DataEC50:  6.80E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293 cells assessed as activation of basal transcriptional activity by dual-glo luci...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50444335(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
Affinity DataEC50:  7.00E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50035885(CHEMBL3361064)
Show SMILES CC(C)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cn1
Show InChI InChI=1S/C23H30F3N3O5S2/c1-17(2)15-29(16-18-6-4-5-7-21(18)23(24,25)26)36(32,33)22-9-8-20(14-27-22)34-19-10-12-28(13-11-19)35(3,30)31/h4-9,14,17,19H,10-13,15-16H2,1-3H3
Affinity DataEC50: >7.10E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434245(CHEMBL2385741)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCCOc1ccccc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H26N2O5/c1-19-24(26(30)33-17-16-32-22-10-6-3-7-11-22)25(29-27(31)28-19)21-12-14-23(15-13-21)34-18-20-8-4-2-5-9-20/h2-15,24-25H,16-18H2,1H3,(H,29,31)
Affinity DataEC50:  8.10E+3nMAssay Description:Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50105919(CHEMBL3596632)
Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O
Show InChI InChI=1S/C23H16Cl2F4N2O3/c1-31(22(33)20-16(25)3-2-4-17(20)26)18-8-6-12(10-19(18)34-11-23(27,28)29)14-9-13(21(30)32)5-7-15(14)24/h2-10H,11H2,1H3,(H2,30,32)/i1D3
Affinity DataEC50:  8.36E+3nMAssay Description:Inverse agonist activity at Gal4 DNA binding domain-tagged human RORalpha expressed in HEK293T cells assessed as effect on receptor-mediated transcri...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50545540(CHEMBL4644223)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(OCc3c(F)cccc3C(F)(F)F)ccc21)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C34H32F5NO6S/c35-23-9-12-25(13-10-23)47(44,45)33-16-17-40(31(41)20-4-6-21(7-5-20)32(42)43)30(33)15-8-22-18-24(11-14-27(22)33)46-19-26-28(34(37,38)39)2-1-3-29(26)36/h1-3,9-14,18,20-21,30H,4-8,15-17,19H2,(H,42,43)/t20-,21-,30-,33-/m1/s1
Affinity DataEC50:  8.40E+3nMAssay Description:Agonist activity at Gal4-fused RORalpha (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50035918(CHEMBL3361061)
Show SMILES CC(C)CN(c1ccc(cc1)C#N)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H29N3O5S2/c1-18(2)17-26(20-6-4-19(16-24)5-7-20)33(29,30)23-10-8-21(9-11-23)31-22-12-14-25(15-13-22)32(3,27)28/h4-11,18,22H,12-15,17H2,1-3H3
Affinity DataEC50:  8.80E+3nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434244(CHEMBL2385908)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCc2ccccc2)c(OC)c1
Show InChI InChI=1S/C22H24N2O5/c1-4-28-21(25)19-14(2)23-22(26)24-20(19)16-10-11-17(18(12-16)27-3)29-13-15-8-6-5-7-9-15/h5-12,19-20H,4,13H2,1-3H3,(H,24,26)
Affinity DataEC50:  8.90E+3nMAssay Description:Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50106009(CHEMBL3598076)
Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1
Show InChI InChI=1S/C26H30ClFN6O2/c1-16(2)34-21(14-23(31-34)30-17(3)35)18-13-22(33-11-6-5-7-12-33)25(29-15-18)32(4)26(36)24-19(27)9-8-10-20(24)28/h8-10,13-16H,5-7,11-12H2,1-4H3,(H,30,31,35)
Affinity DataEC50:  9.30E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50106008(CHEMBL3598075)
Show SMILES CC(C1CC1)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1
Show InChI InChI=1S/C29H31ClFN5O2/c1-16(18-7-8-18)36-25(13-27(33-36)32-17(2)37)19-9-10-24(26(12-19)35-14-20-11-21(20)15-35)34(3)29(38)28-22(30)5-4-6-23(28)31/h4-6,9-10,12-13,16,18,20-21H,7-8,11,14-15H2,1-3H3,(H,32,33,37)
Affinity DataEC50:  9.30E+3nMAssay Description:Inverse agonist activity at RORalpha (unknown origin)More 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
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50035908(CHEMBL3361051)
Show SMILES CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(NC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H30F3N3O4S2/c1-17(2)16-29(22-7-5-4-6-21(22)23(24,25)26)35(32,33)20-10-8-18(9-11-20)27-19-12-14-28(15-13-19)34(3,30)31/h4-11,17,19,27H,12-16H2,1-3H3
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50035915(CHEMBL3361058)
Show SMILES CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H29FN2O5S2/c1-17(2)16-25(19-6-4-18(23)5-7-19)32(28,29)22-10-8-20(9-11-22)30-21-12-14-24(15-13-21)31(3,26)27/h4-11,17,21H,12-16H2,1-3H3
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50050083(CHEMBL3317833 | US9216988, 101)
Show SMILES CC(C)CN(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C24H33N3O3S/c1-20(2)17-27(31(29,30)19-23-7-5-4-6-8-23)18-22-9-11-24(12-10-22)26-15-13-25(14-16-26)21(3)28/h4-12,20H,13-19H2,1-3H3
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C24H31N3O3S/c1-20(28)25-14-16-26(17-15-25)23-12-10-21(11-13-23)18-27(24-8-5-9-24)31(29,30)19-22-6-3-2-4-7-22/h2-4,6-7,10-13,24H,5,8-9,14-19H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50050087(CHEMBL3317840 | US9216988, 50)
Show SMILES CC(C)N(Cc1ccc(cc1)N1CCN(CC1)C(C)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H31N3O3S/c1-19(2)26(30(28,29)18-22-7-5-4-6-8-22)17-21-9-11-23(12-10-21)25-15-13-24(14-16-25)20(3)27/h4-12,19H,13-18H2,1-3H3
Affinity DataEC50: >1.00E+4nMAssay Description:Inverse agonist activity at GAL4-fused human RORa expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...More data for this Ligand-Target Pair
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