Compile Data Set for Download or QSAR
Found 27 Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50043660
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50444338(CHEMBL3094388)
Show SMILES CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H13F6N3O4S2/c1-7-11(29-12(22-7)23-8(2)25)30(27,28)24-10-5-3-9(4-6-10)13(26,14(16,17)18)15(19,20)21/h3-6,24,26H,1-2H3,(H,22,23,25)
Affinity DataEC50:  911nMAssay 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
LigandPNGBDBM50444354(CHEMBL3094377)
Show SMILES OC(=O)CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H15F6NO5S/c19-17(20,21)16(28,18(22,23)24)12-6-8-13(9-7-12)25(11-10-15(26)27)31(29,30)14-4-2-1-3-5-14/h1-9,28H,10-11H2,(H,26,27)
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
LigandPNGBDBM50444340(CHEMBL3094376)
Show SMILES CC(=O)NCCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H18F6N2O4S/c1-13(28)26-11-12-27(32(30,31)16-5-3-2-4-6-16)15-9-7-14(8-10-15)17(29,18(20,21)22)19(23,24)25/h2-10,29H,11-12H2,1H3,(H,26,28)
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
LigandPNGBDBM50444341(CHEMBL3094384)
Show SMILES CCN(c1cccc(c1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-9-4-3-5-10-14)13-8-6-7-12(11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
Affinity DataEC50:  900nMAssay 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
LigandPNGBDBM50179880(1,1,1,3,3,3-hexafluoro-2-(1-(phenylsulfonyl)indoli...)
Show SMILES OC(c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H13F6NO3S/c18-16(19,20)15(25,17(21,22)23)12-6-7-14-11(10-12)8-9-24(14)28(26,27)13-4-2-1-3-5-13/h1-7,10,25H,8-9H2
Affinity DataEC50:  5.00E+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
LigandPNGBDBM50444342(CHEMBL3094383)
Show SMILES NS(=O)(=O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C14H13F3N2O4S2/c15-14(16,17)10-19(25(22,23)13-4-2-1-3-5-13)11-6-8-12(9-7-11)24(18,20)21/h1-9H,10H2,(H2,18,20,21)
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
LigandPNGBDBM50444343(CHEMBL3094375)
Show SMILES CS(=O)(=O)CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H17F6NO5S2/c1-31(27,28)12-11-25(32(29,30)15-5-3-2-4-6-15)14-9-7-13(8-10-14)16(26,17(19,20)21)18(22,23)24/h2-10,26H,11-12H2,1H3
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
LigandPNGBDBM50444344(CHEMBL3094380)
Show SMILES COC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c1-31-16(17(22,23)24,18(25,26)27)12-7-9-13(10-8-12)28(11-15(19,20)21)32(29,30)14-5-3-2-4-6-14/h2-10H,11H2,1H3
Affinity DataEC50:  9.00E+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
LigandPNGBDBM50444345(CHEMBL3094379)
Show SMILES OC(c1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H17F6NO3S/c23-21(24,25)20(30,22(26,27)28)17-11-13-18(14-12-17)29(15-16-7-3-1-4-8-16)33(31,32)19-9-5-2-6-10-19/h1-14,30H,15H2
Affinity DataEC50:  8.00E+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
LigandPNGBDBM50444346(CHEMBL3094378)
Show SMILES OC(c1ccc(cc1)N(CCC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c19-15(20,21)10-11-28(32(30,31)14-4-2-1-3-5-14)13-8-6-12(7-9-13)16(29,17(22,23)24)18(25,26)27/h1-9,29H,10-11H2
Affinity DataEC50:  4.00E+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
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:  190nMAssay 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
LigandPNGBDBM50444347(CHEMBL3094374)
Show SMILES COCCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H17F6NO4S/c1-29-12-11-25(30(27,28)15-5-3-2-4-6-15)14-9-7-13(8-10-14)16(26,17(19,20)21)18(22,23)24/h2-10,26H,11-12H2,1H3
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
LigandPNGBDBM50444348(CHEMBL3094373)
Show SMILES OCCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO4S/c18-16(19,20)15(26,17(21,22)23)12-6-8-13(9-7-12)24(10-11-25)29(27,28)14-4-2-1-3-5-14/h1-9,25-26H,10-11H2
Affinity DataEC50:  1.00E+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
LigandPNGBDBM50444349(CHEMBL3094372)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)Cc1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c19-15(20,21)11-28(32(30,31)10-12-4-2-1-3-5-12)14-8-6-13(7-9-14)16(29,17(22,23)24)18(25,26)27/h1-9,29H,10-11H2
Affinity DataEC50: >2.00E+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
LigandPNGBDBM50444332(CHEMBL3094370)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccnc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F9N2O3S/c17-13(18,19)9-27(31(29,30)12-2-1-7-26-8-12)11-5-3-10(4-6-11)14(28,15(20,21)22)16(23,24)25/h1-8,28H,9H2
Affinity DataEC50:  1.00E+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
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:  19nMAssay 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
LigandPNGBDBM50444334(CHEMBL3094368)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H14F9NO3S/c1-11-2-8-14(9-3-11)32(30,31)28(10-15(19,20)21)13-6-4-12(5-7-13)16(29,17(22,23)24)18(25,26)27/h2-9,29H,10H2,1H3
Affinity DataEC50:  20nMAssay 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
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:  61nMAssay 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
LigandPNGBDBM50444336(CHEMBL3094366)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(c1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-3-1-2-11(8-14)9-28)13-6-4-12(5-7-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
Affinity DataEC50:  100nMAssay 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
LigandPNGBDBM50444337(CHEMBL3094365)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-4-2-1-3-11(14)9-28)13-7-5-12(6-8-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
Affinity DataEC50:  920nMAssay 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
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:  54nMAssay 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
LigandPNGBDBM50444350(CHEMBL3094387)
Show SMILES OC(c1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H10F9NO2/c18-15(19,20)11-3-1-9(2-4-11)13(28)27-12-7-5-10(6-8-12)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28)
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
LigandPNGBDBM50444351(CHEMBL3094386)
Show SMILES OC(c1ccc(NC(=O)c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H11F6NO2/c17-15(18,19)14(25,16(20,21)22)11-6-8-12(9-7-11)23-13(24)10-4-2-1-3-5-10/h1-9,25H,(H,23,24)
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
LigandPNGBDBM50444352(CHEMBL3094382)
Show SMILES NC(=O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13F3N2O3S/c16-15(17,18)10-20(12-8-6-11(7-9-12)14(19)21)24(22,23)13-4-2-1-3-5-13/h1-9H,10H2,(H2,19,21)
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
LigandPNGBDBM50444353(CHEMBL3094381)
Show SMILES OC(=O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H12F3NO4S/c16-15(17,18)10-19(12-8-6-11(7-9-12)14(20)21)24(22,23)13-4-2-1-3-5-13/h1-9H,10H2,(H,20,21)
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
LigandPNGBDBM21667(N-[4-(hydroxymethyl)phenyl]-N-(2,2,2-trifluoroethy...)
Show SMILES OCc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H14F3NO3S/c16-15(17,18)11-19(13-8-6-12(10-20)7-9-13)23(21,22)14-4-2-1-3-5-14/h1-9,20H,10-11H2
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
LigandPNGBDBM50444339(CHEMBL3094385)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)C(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H12F9NO2/c19-15(20,21)10-28(14(29)11-4-2-1-3-5-11)13-8-6-12(7-9-13)16(30,17(22,23)24)18(25,26)27/h1-9,30H,10H2
Affinity DataEC50:  4.00E+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