Compile Data Set for Download or QSAR

PubMed code 30964293

Found 40 hits of Enzyme Inhibition Constant Data   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524248(CHEMBL4439690)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2,1H3,(H,33,34)
Affinity DataIC50: 30nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Chinese Academy of Sciences

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 DataIC50: 50nMAssay Description:Agonist activity at Gal4-fused LXRalpha LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524230(CHEMBL4455520)
Show SMILES COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H18F7NO5S/c1-37-21(33)16-4-2-14(3-5-16)13-38(35,36)32-18-9-6-15(7-10-18)19-11-8-17(12-20(19)25)22(34,23(26,27)28)24(29,30)31/h2-12,32,34H,13H2,1H3
Affinity DataIC50: 90nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524231(CHEMBL4558865)
Show SMILES CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H18F7NO4S/c1-37(35,36)18-9-2-14(3-10-18)12-21(33)32-17-7-4-15(5-8-17)19-11-6-16(13-20(19)25)22(34,23(26,27)28)24(29,30)31/h2-11,13,34H,12H2,1H3,(H,32,33)
Affinity DataIC50: 120nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524247(CHEMBL4537738)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NC(=O)Cc2ccccc2[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H15F7N2O4/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)31-20(33)11-14-3-1-2-4-19(14)32(35)36/h1-10,12,34H,11H2,(H,31,33)
Affinity DataIC50: 190nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

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 DataIC50: 330nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524250(CHEMBL4471950)
Show SMILES COC(=O)CCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H16F7NO4/c1-32-17(30)9-8-16(29)28-13-5-2-11(3-6-13)14-7-4-12(10-15(14)21)18(31,19(22,23)24)20(25,26)27/h2-7,10,31H,8-9H2,1H3,(H,28,29)
Affinity DataIC50: 460nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524248(CHEMBL4439690)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2,1H3,(H,33,34)
Affinity DataIC50: 750nMAssay Description:Inverse agonist activity at human N-terminal His6-tagged RORgamma (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibiti...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524233(CHEMBL4465197)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H22F7NO2/c1-2-3-4-5-6-19(31)30-16-10-7-14(8-11-16)17-12-9-15(13-18(17)23)20(32,21(24,25)26)22(27,28)29/h7-13,32H,2-6H2,1H3,(H,30,31)
Affinity DataIC50: 820nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524253(CHEMBL4458996)
Show SMILES COC(=O)CCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H18F7NO4/c1-33-18(31)4-2-3-17(30)29-14-8-5-12(6-9-14)15-10-7-13(11-16(15)22)19(32,20(23,24)25)21(26,27)28/h5-11,32H,2-4H2,1H3,(H,29,30)
Affinity DataIC50: 930nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524241(CHEMBL4558603)
Show SMILES Nc1ccccc1CC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H17F7N2O2/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)32-20(33)11-14-3-1-2-4-19(14)31/h1-10,12,34H,11,31H2,(H,32,33)
Affinity DataIC50: 960nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524232(CHEMBL4551495)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NC(=O)CCCC2CCCCC2)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H26F7NO2/c26-21-15-18(23(35,24(27,28)29)25(30,31)32)11-14-20(21)17-9-12-19(13-10-17)33-22(34)8-4-7-16-5-2-1-3-6-16/h9-16,35H,1-8H2,(H,33,34)
Affinity DataIC50: 1.08E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBile acid receptor(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524233(CHEMBL4465197)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H22F7NO2/c1-2-3-4-5-6-19(31)30-16-10-7-14(8-11-16)17-12-9-15(13-18(17)23)20(32,21(24,25)26)22(27,28)29/h7-13,32H,2-6H2,1H3,(H,30,31)
Affinity DataIC50: 1.25E+3nMAssay Description:Inverse agonist activity at Gal4-fused FXR LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524239(CHEMBL4469780)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H15F7N2O4/c24-19-12-15(21(34,22(25,26)27)23(28,29)30)5-10-18(19)14-3-6-16(7-4-14)31-20(33)11-13-1-8-17(9-2-13)32(35)36/h1-10,12,34H,11H2,(H,31,33)
Affinity DataIC50: 1.49E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524249(CHEMBL4459497)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NS(=O)(=O)Cc2cccc(c2)[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F7N2O5S/c23-19-11-15(20(32,21(24,25)26)22(27,28)29)6-9-18(19)14-4-7-16(8-5-14)30-37(35,36)12-13-2-1-3-17(10-13)31(33)34/h1-11,30,32H,12H2
Affinity DataIC50: 1.49E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524245(CHEMBL4525495)
Show SMILES CC(=O)CCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H18F7NO3/c1-12(30)3-2-4-18(31)29-15-8-5-13(6-9-15)16-10-7-14(11-17(16)22)19(32,20(23,24)25)21(26,27)28/h5-11,32H,2-4H2,1H3,(H,29,31)
Affinity DataIC50: 1.52E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524233(CHEMBL4465197)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H22F7NO2/c1-2-3-4-5-6-19(31)30-16-10-7-14(8-11-16)17-12-9-15(13-18(17)23)20(32,21(24,25)26)22(27,28)29/h7-13,32H,2-6H2,1H3,(H,30,31)
Affinity DataIC50: 1.74E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORalpha LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524243(CHEMBL4441514)
Show SMILES CCCCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H20F7NO2/c1-2-3-4-5-18(30)29-15-9-6-13(7-10-15)16-11-8-14(12-17(16)22)19(31,20(23,24)25)21(26,27)28/h6-12,31H,2-5H2,1H3,(H,29,30)
Affinity DataIC50: 1.83E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524246(CHEMBL4550385)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NC(=O)CCc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H18F7NO2/c25-20-14-17(22(34,23(26,27)28)24(29,30)31)9-12-19(20)16-7-10-18(11-8-16)32-21(33)13-6-15-4-2-1-3-5-15/h1-5,7-12,14,34H,6,13H2,(H,32,33)
Affinity DataIC50: 1.98E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524254(CHEMBL4529586)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NS(=O)(=O)Cc2ccc(cc2)[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F7N2O5S/c23-19-11-15(20(32,21(24,25)26)22(27,28)29)5-10-18(19)14-3-6-16(7-4-14)30-37(35,36)12-13-1-8-17(9-2-13)31(33)34/h1-11,30,32H,12H2
Affinity DataIC50: 2.22E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524231(CHEMBL4558865)
Show SMILES CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H18F7NO4S/c1-37(35,36)18-9-2-14(3-10-18)12-21(33)32-17-7-4-15(5-8-17)19-11-6-16(13-20(19)25)22(34,23(26,27)28)24(29,30)31/h2-11,13,34H,12H2,1H3,(H,32,33)
Affinity DataIC50: 2.28E+3nMAssay Description:Inverse agonist activity at human N-terminal His6-tagged RORgamma (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibiti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Chinese Academy of Sciences

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 DataIC50: 2.60E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORalpha LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524252(CHEMBL4441381)
Show SMILES COC(=O)c1ccccc1CS(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H18F7NO5S/c1-37-21(33)19-5-3-2-4-15(19)13-38(35,36)32-17-9-6-14(7-10-17)18-11-8-16(12-20(18)25)22(34,23(26,27)28)24(29,30)31/h2-12,32,34H,13H2,1H3
Affinity DataIC50: 2.96E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524244(CHEMBL4566898)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NC(=O)CCC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H13F10NO2/c20-14-9-11(17(32,18(24,25)26)19(27,28)29)3-6-13(14)10-1-4-12(5-2-10)30-15(31)7-8-16(21,22)23/h1-6,9,32H,7-8H2,(H,30,31)
Affinity DataIC50: 3.08E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524247(CHEMBL4537738)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NC(=O)Cc2ccccc2[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H15F7N2O4/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)31-20(33)11-14-3-1-2-4-19(14)32(35)36/h1-10,12,34H,11H2,(H,31,33)
Affinity DataIC50: 3.46E+3nMAssay Description:Inverse agonist activity at human N-terminal His6-tagged RORgamma (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibiti...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524240(CHEMBL4462547)
Show SMILES Nc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H17F7N2O2/c24-19-12-15(21(34,22(25,26)27)23(28,29)30)5-10-18(19)14-3-8-17(9-4-14)32-20(33)11-13-1-6-16(31)7-2-13/h1-10,12,34H,11,31H2,(H,32,33)
Affinity DataIC50: 4.16E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524242(CHEMBL4441703)
Show SMILES CCCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H18F7NO2/c1-2-3-4-17(29)28-14-8-5-12(6-9-14)15-10-7-13(11-16(15)21)18(30,19(22,23)24)20(25,26)27/h5-11,30H,2-4H2,1H3,(H,28,29)
Affinity DataIC50: 4.17E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524238(CHEMBL4561575)
Show SMILES COC(=O)c1cccc(CS(=O)(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C24H18F7NO5S/c1-37-21(33)16-4-2-3-14(11-16)13-38(35,36)32-18-8-5-15(6-9-18)19-10-7-17(12-20(19)25)22(34,23(26,27)28)24(29,30)31/h2-12,32,34H,13H2,1H3
Affinity DataIC50: 4.24E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524230(CHEMBL4455520)
Show SMILES COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H18F7NO5S/c1-37-21(33)16-4-2-14(3-5-16)13-38(35,36)32-18-9-6-15(7-10-18)19-11-8-17(12-20(19)25)22(34,23(26,27)28)24(29,30)31/h2-12,32,34H,13H2,1H3
Affinity DataIC50: 4.83E+3nMAssay Description:Inverse agonist activity at human N-terminal His6-tagged RORgamma (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibiti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBile acid receptor(Homo sapiens (Human))
Chinese Academy of Sciences

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 DataIC50: 5.30E+3nMAssay Description:Agonist activity at Gal4-fused FXR LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524233(CHEMBL4465197)
Show SMILES CCCCCCC(=O)Nc1ccc(cc1)-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H22F7NO2/c1-2-3-4-5-6-19(31)30-16-10-7-14(8-11-16)17-12-9-15(13-18(17)23)20(32,21(24,25)26)22(27,28)29/h7-13,32H,2-6H2,1H3,(H,30,31)
Affinity DataIC50: 5.31E+3nMAssay Description:Inverse agonist activity at human N-terminal His6-tagged RORgamma (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibiti...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524235(CHEMBL4579729)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NS(=O)(=O)Cc2ccc(cc2)C#N)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H15F7N2O3S/c24-20-11-17(21(33,22(25,26)27)23(28,29)30)7-10-19(20)16-5-8-18(9-6-16)32-36(34,35)13-15-3-1-14(12-31)2-4-15/h1-11,32-33H,13H2
Affinity DataIC50: 7.55E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524247(CHEMBL4537738)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NC(=O)Cc2ccccc2[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H15F7N2O4/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)31-20(33)11-14-3-1-2-4-19(14)32(35)36/h1-10,12,34H,11H2,(H,31,33)
Affinity DataIC50: 7.57E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORalpha LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524237(CHEMBL4453595)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NS(=O)(=O)Cc2ccccc2[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H15F7N2O5S/c23-18-11-15(20(32,21(24,25)26)22(27,28)29)7-10-17(18)13-5-8-16(9-6-13)30-37(35,36)12-14-3-1-2-4-19(14)31(33)34/h1-11,30,32H,12H2
Affinity DataIC50: 7.66E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524234(CHEMBL4457547)
Show SMILES CS(=O)(=O)c1ccc(CS(=O)(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H18F7NO5S2/c1-37(33,34)18-9-2-14(3-10-18)13-38(35,36)31-17-7-4-15(5-8-17)19-11-6-16(12-20(19)24)21(32,22(25,26)27)23(28,29)30/h2-12,31-32H,13H2,1H3
Affinity DataIC50: 7.76E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524251(CHEMBL4462223)
Show SMILES CNC(=O)c1ccc(CS(=O)(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H19F7N2O4S/c1-32-21(34)16-4-2-14(3-5-16)13-38(36,37)33-18-9-6-15(7-10-18)19-11-8-17(12-20(19)25)22(35,23(26,27)28)24(29,30)31/h2-12,33,35H,13H2,1H3,(H,32,34)
Affinity DataIC50: 8.05E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524236(CHEMBL4448295)
Show SMILES NC(=O)c1ccc(CS(=O)(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H17F7N2O4S/c24-19-11-16(21(34,22(25,26)27)23(28,29)30)7-10-18(19)14-5-8-17(9-6-14)32-37(35,36)12-13-1-3-15(4-2-13)20(31)33/h1-11,32,34H,12H2,(H2,31,33)
Affinity DataIC50: 8.72E+3nMAssay Description:Inverse agonist activity at Gal4-fused RORgamma LBD (unknown origin) expressed in 293T cells measured after 24 hrs by dual-luciferase reporter gene a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524248(CHEMBL4439690)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2,1H3,(H,33,34)
Affinity DataKd:  380nMAssay Description:Binding affinity to human N-terminal His6-tagged RORgamma (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calo...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524247(CHEMBL4537738)
Show SMILES OC(c1ccc(c(F)c1)-c1ccc(NC(=O)Cc2ccccc2[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H15F7N2O4/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)31-20(33)11-14-3-1-2-4-19(14)32(35)36/h1-10,12,34H,11H2,(H,31,33)
Affinity DataKd:  780nMAssay Description:Binding affinity to human N-terminal His6-tagged RORgamma (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calo...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50524231(CHEMBL4558865)
Show SMILES CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C24H18F7NO4S/c1-37(35,36)18-9-2-14(3-10-18)12-21(33)32-17-7-4-15(5-8-17)19-11-6-16(13-20(19)25)22(34,23(26,27)28)24(29,30)31/h2-11,13,34H,12H2,1H3,(H,32,33)
Affinity DataKd:  560nMAssay Description:Binding affinity to human N-terminal His6-tagged RORgamma (262 to 507 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titration calo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
* indicates data uncertainty>20%