Compile Data Set for Download or QSAR

PubMed code 30301676

Found 91 hits of Enzyme Inhibition Constant Data   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466366(CHEMBL4286190)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C26H27FN2O4S/c1-4-34(32,33)21-15-9-18(10-16-21)17-24(30)28-20-13-11-19(12-14-20)26(2,3)25(31)29-23-8-6-5-7-22(23)27/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31)
Affinity DataIC50: 4.40nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466386(CHEMBL4286603)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cc(Cl)ccn2)cc1
Show InChI InChI=1S/C25H26ClN3O4S/c1-4-34(32,33)21-11-5-17(6-12-21)15-23(30)28-20-9-7-18(8-10-20)25(2,3)24(31)29-22-16-19(26)13-14-27-22/h5-14,16H,4,15H2,1-3H3,(H,28,30)(H,27,29,31)
Affinity DataIC50: 8.20nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466381(CHEMBL4281750)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H27FN2O4S/c1-4-34(32,33)23-14-8-18(9-15-23)16-24(30)28-21-12-10-19(11-13-21)26(2,3)25(31)29-22-7-5-6-20(27)17-22/h5-15,17H,4,16H2,1-3H3,(H,28,30)(H,29,31)
Affinity DataIC50: 9.80nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466369(CHEMBL4282801)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2CCc3ccccc23)cc1
Show InChI InChI=1S/C28H30N2O4S/c1-4-35(33,34)24-15-9-20(10-16-24)19-26(31)29-23-13-11-22(12-14-23)28(2,3)27(32)30-18-17-21-7-5-6-8-25(21)30/h5-16H,4,17-19H2,1-3H3,(H,29,31)
Affinity DataIC50: 10nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466375(CHEMBL4287674)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C26H25F3N2O4S/c1-4-36(34,35)19-9-5-16(6-10-19)13-24(32)30-18-8-11-20(21(28)15-18)26(2,3)25(33)31-23-12-7-17(27)14-22(23)29/h5-12,14-15H,4,13H2,1-3H3,(H,30,32)(H,31,33)
Affinity DataIC50: 13nMAssay Description:Transrepression of RORgammat in anti-CD3/CD28 stimulated human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466374(CHEMBL4279420)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O4S/c1-4-33(31,32)23-16-10-19(11-17-23)18-24(29)27-22-14-12-20(13-15-22)26(2,3)25(30)28-21-8-6-5-7-9-21/h5-17H,4,18H2,1-3H3,(H,27,29)(H,28,30)
Affinity DataIC50: 14nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466384(CHEMBL4293415)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N(C)c2ccccc2)cc1
Show InChI InChI=1S/C27H30N2O4S/c1-5-34(32,33)24-17-11-20(12-18-24)19-25(30)28-22-15-13-21(14-16-22)27(2,3)26(31)29(4)23-9-7-6-8-10-23/h6-18H,5,19H2,1-4H3,(H,28,30)
Affinity DataIC50: 14nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466377(CHEMBL4279772)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C26H25FN4O4S/c1-4-36(34,35)20-8-5-17(6-9-20)14-24(32)30-19-7-10-21(22(27)15-19)26(2,3)25(33)31-23-13-18(16-28)11-12-29-23/h5-13,15H,4,14H2,1-3H3,(H,30,32)(H,29,31,33)
Affinity DataIC50: 16nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466368(CHEMBL4278291)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cc(ccn2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H26F3N3O4S/c1-4-37(35,36)21-11-5-17(6-12-21)15-23(33)31-20-9-7-18(8-10-20)25(2,3)24(34)32-22-16-19(13-14-30-22)26(27,28)29/h5-14,16H,4,15H2,1-3H3,(H,31,33)(H,30,32,34)
Affinity DataIC50: 25nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466367(CHEMBL4290041)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26F2N2O4S/c1-4-35(33,34)21-12-5-17(6-13-21)15-24(31)29-20-11-14-22(23(28)16-20)26(2,3)25(32)30-19-9-7-18(27)8-10-19/h5-14,16H,4,15H2,1-3H3,(H,29,31)(H,30,32)
Affinity DataIC50: 25nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466375(CHEMBL4287674)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C26H25F3N2O4S/c1-4-36(34,35)19-9-5-16(6-10-19)13-24(32)30-18-8-11-20(21(28)15-18)26(2,3)25(33)31-23-12-7-17(27)14-22(23)29/h5-12,14-15H,4,13H2,1-3H3,(H,30,32)(H,31,33)
Affinity DataIC50: 29nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466377(CHEMBL4279772)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C26H25FN4O4S/c1-4-36(34,35)20-8-5-17(6-9-20)14-24(32)30-19-7-10-21(22(27)15-19)26(2,3)25(33)31-23-13-18(16-28)11-12-29-23/h5-13,15H,4,14H2,1-3H3,(H,30,32)(H,29,31,33)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466367(CHEMBL4290041)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26F2N2O4S/c1-4-35(33,34)21-12-5-17(6-13-21)15-24(31)29-20-11-14-22(23(28)16-20)26(2,3)25(32)30-19-9-7-18(27)8-10-19/h5-14,16H,4,15H2,1-3H3,(H,29,31)(H,30,32)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466369(CHEMBL4282801)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2CCc3ccccc23)cc1
Show InChI InChI=1S/C28H30N2O4S/c1-4-35(33,34)24-15-9-20(10-16-24)19-26(31)29-23-13-11-22(12-14-23)28(2,3)27(32)30-18-17-21-7-5-6-8-25(21)30/h5-16H,4,17-19H2,1-3H3,(H,29,31)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466374(CHEMBL4279420)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H28N2O4S/c1-4-33(31,32)23-16-10-19(11-17-23)18-24(29)27-22-14-12-20(13-15-22)26(2,3)25(30)28-21-8-6-5-7-9-21/h5-17H,4,18H2,1-3H3,(H,27,29)(H,28,30)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466375(CHEMBL4287674)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C26H25F3N2O4S/c1-4-36(34,35)19-9-5-16(6-10-19)13-24(32)30-18-8-11-20(21(28)15-18)26(2,3)25(33)31-23-12-7-17(27)14-22(23)29/h5-12,14-15H,4,13H2,1-3H3,(H,30,32)(H,31,33)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466373(CHEMBL4278285)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C28H30N2O4S/c1-4-35(33,34)25-15-9-20(10-16-25)17-26(31)29-24-13-11-23(12-14-24)28(2,3)27(32)30-18-21-7-5-6-8-22(21)19-30/h5-16H,4,17-19H2,1-3H3,(H,29,31)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466382(CHEMBL4289622)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H27FN2O4S/c1-4-34(32,33)23-15-5-18(6-16-23)17-24(30)28-21-11-7-19(8-12-21)26(2,3)25(31)29-22-13-9-20(27)10-14-22/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466384(CHEMBL4293415)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N(C)c2ccccc2)cc1
Show InChI InChI=1S/C27H30N2O4S/c1-5-34(32,33)24-17-11-20(12-18-24)19-25(30)28-22-15-13-21(14-16-22)27(2,3)26(31)29(4)23-9-7-6-8-10-23/h6-18H,5,19H2,1-4H3,(H,28,30)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466378(CHEMBL4282063)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2CCC2)cc1
Show InChI InChI=1S/C23H28N2O4S/c1-4-30(28,29)20-12-6-17(7-13-20)16-21(26)24-19-10-8-18(9-11-19)23(2,3)22(27)25-14-5-15-25/h6-13H,4-5,14-16H2,1-3H3,(H,24,26)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466365(CHEMBL4277538)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N(C)C)cc1
Show InChI InChI=1S/C22H28N2O4S/c1-6-29(27,28)19-13-7-16(8-14-19)15-20(25)23-18-11-9-17(10-12-18)22(2,3)21(26)24(4)5/h7-14H,6,15H2,1-5H3,(H,23,25)
Affinity DataIC50: 30nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466376(CHEMBL4293421)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cc(F)ccn2)cc1
Show InChI InChI=1S/C25H26FN3O4S/c1-4-34(32,33)21-11-5-17(6-12-21)15-23(30)28-20-9-7-18(8-10-20)25(2,3)24(31)29-22-16-19(26)13-14-27-22/h5-14,16H,4,15H2,1-3H3,(H,28,30)(H,27,29,31)
Affinity DataIC50: 31nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466382(CHEMBL4289622)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H27FN2O4S/c1-4-34(32,33)23-15-5-18(6-16-23)17-24(30)28-21-11-7-19(8-12-21)26(2,3)25(31)29-22-13-9-20(27)10-14-22/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31)
Affinity DataIC50: 33nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466379(CHEMBL4292660)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2CC3(CCC3)C2)cc1
Show InChI InChI=1S/C26H32N2O4S/c1-4-33(31,32)22-12-6-19(7-13-22)16-23(29)27-21-10-8-20(9-11-21)25(2,3)24(30)28-17-26(18-28)14-5-15-26/h6-13H,4-5,14-18H2,1-3H3,(H,27,29)
Affinity DataIC50: 33nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466383(CHEMBL4293008)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C26H26F2N2O4S/c1-4-35(33,34)21-12-5-17(6-13-21)15-24(31)29-20-10-7-18(8-11-20)26(2,3)25(32)30-23-14-9-19(27)16-22(23)28/h5-14,16H,4,15H2,1-3H3,(H,29,31)(H,30,32)
Affinity DataIC50: 36nMAssay Description:Transrepression of RORgammat in anti-CD3/CD28 stimulated human PBMC derived CD4-positive T cells assessed as suppression of T cell differentiation to...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466380(CHEMBL4287342)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C25H32N2O4S/c1-4-32(30,31)22-14-8-19(9-15-22)18-23(28)26-21-12-10-20(11-13-21)25(2,3)24(29)27-16-6-5-7-17-27/h8-15H,4-7,16-18H2,1-3H3,(H,26,28)
Affinity DataIC50: 36nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466388(CHEMBL4279768)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccccn2)cc1
Show InChI InChI=1S/C25H27N3O4S/c1-4-33(31,32)21-14-8-18(9-15-21)17-23(29)27-20-12-10-19(11-13-20)25(2,3)24(30)28-22-7-5-6-16-26-22/h5-16H,4,17H2,1-3H3,(H,27,29)(H,26,28,30)
Affinity DataIC50: 40nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466387(CHEMBL4279356)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C26H26N4O4S/c1-4-35(33,34)22-11-5-18(6-12-22)16-24(31)29-21-9-7-20(8-10-21)26(2,3)25(32)30-23-15-19(17-27)13-14-28-23/h5-15H,4,16H2,1-3H3,(H,29,31)(H,28,30,32)
Affinity DataIC50: 40nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466370(CHEMBL4285485)
Show SMILES CCOC(=O)C(C)(C)c1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1
Show InChI InChI=1S/C22H27NO5S/c1-5-28-21(25)22(3,4)17-9-11-18(12-10-17)23-20(24)15-16-7-13-19(14-8-16)29(26,27)6-2/h7-14H,5-6,15H2,1-4H3,(H,23,24)
Affinity DataIC50: 64nMAssay Description:Displacement of [3H]-Digoxin from recombinant human GST-fused RORgammat LBD after 1 to 4 hrs by scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466377(CHEMBL4279772)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C26H25FN4O4S/c1-4-36(34,35)20-8-5-17(6-9-20)14-24(32)30-19-7-10-21(22(27)15-19)26(2,3)25(33)31-23-13-18(16-28)11-12-29-23/h5-13,15H,4,14H2,1-3H3,(H,30,32)(H,29,31,33)
Affinity DataIC50: 68nMAssay Description:Transrepression of RORgammat in anti-CD3/CD28 stimulated C57BL/6 mouse CD4-positive T cells assessed as suppression of T cell differentiation to Th17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466377(CHEMBL4279772)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C26H25FN4O4S/c1-4-36(34,35)20-8-5-17(6-9-20)14-24(32)30-19-7-10-21(22(27)15-19)26(2,3)25(33)31-23-13-18(16-28)11-12-29-23/h5-13,15H,4,14H2,1-3H3,(H,30,32)(H,29,31,33)
Affinity DataIC50: 74nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466368(CHEMBL4278291)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cc(ccn2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H26F3N3O4S/c1-4-37(35,36)21-11-5-17(6-12-21)15-23(33)31-20-9-7-18(8-10-20)25(2,3)24(34)32-22-16-19(13-14-30-22)26(27,28)29/h5-14,16H,4,15H2,1-3H3,(H,31,33)(H,30,32,34)
Affinity DataIC50: 78nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466383(CHEMBL4293008)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C26H26F2N2O4S/c1-4-35(33,34)21-12-5-17(6-13-21)15-24(31)29-20-10-7-18(8-11-20)26(2,3)25(32)30-23-14-9-19(27)16-22(23)28/h5-14,16H,4,15H2,1-3H3,(H,29,31)(H,30,32)
Affinity DataIC50: 95nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466386(CHEMBL4286603)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cc(Cl)ccn2)cc1
Show InChI InChI=1S/C25H26ClN3O4S/c1-4-34(32,33)21-11-5-17(6-12-21)15-23(30)28-20-9-7-18(8-10-20)25(2,3)24(31)29-22-16-19(26)13-14-27-22/h5-14,16H,4,15H2,1-3H3,(H,28,30)(H,27,29,31)
Affinity DataIC50: 100nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466366(CHEMBL4286190)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C26H27FN2O4S/c1-4-34(32,33)21-15-9-18(10-16-21)17-24(30)28-20-13-11-19(12-14-20)26(2,3)25(31)29-23-8-6-5-7-22(23)27/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31)
Affinity DataIC50: 100nMAssay Description:Transrepression of RORgammat in anti-CD3/CD28 stimulated C57BL/6 mouse CD4-positive T cells assessed as suppression of T cell differentiation to Th17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466366(CHEMBL4286190)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C26H27FN2O4S/c1-4-34(32,33)21-15-9-18(10-16-21)17-24(30)28-20-13-11-19(12-14-20)26(2,3)25(31)29-23-8-6-5-7-22(23)27/h5-16H,4,17H2,1-3H3,(H,28,30)(H,29,31)
Affinity DataIC50: 100nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466369(CHEMBL4282801)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2CCc3ccccc23)cc1
Show InChI InChI=1S/C28H30N2O4S/c1-4-35(33,34)24-15-9-20(10-16-24)19-26(31)29-23-13-11-22(12-14-23)28(2,3)27(32)30-18-17-21-7-5-6-8-25(21)30/h5-16H,4,17-19H2,1-3H3,(H,29,31)
Affinity DataIC50: 110nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466372(CHEMBL4285176)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ccccc2C)cc1
Show InChI InChI=1S/C27H30N2O4S/c1-5-34(32,33)23-16-10-20(11-17-23)18-25(30)28-22-14-12-21(13-15-22)27(3,4)26(31)29-24-9-7-6-8-19(24)2/h6-17H,5,18H2,1-4H3,(H,28,30)(H,29,31)
Affinity DataIC50: 140nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466364(CHEMBL4287670)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cccnc2)cc1
Show InChI InChI=1S/C25H27N3O4S/c1-4-33(31,32)22-13-7-18(8-14-22)16-23(29)27-20-11-9-19(10-12-20)25(2,3)24(30)28-21-6-5-15-26-17-21/h5-15,17H,4,16H2,1-3H3,(H,27,29)(H,28,30)
Affinity DataIC50: 150nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466378(CHEMBL4282063)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2CCC2)cc1
Show InChI InChI=1S/C23H28N2O4S/c1-4-30(28,29)20-12-6-17(7-13-20)16-21(26)24-19-10-8-18(9-11-19)23(2,3)22(27)25-14-5-15-25/h6-13H,4-5,14-16H2,1-3H3,(H,24,26)
Affinity DataIC50: 180nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466375(CHEMBL4287674)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C26H25F3N2O4S/c1-4-36(34,35)19-9-5-16(6-10-19)13-24(32)30-18-8-11-20(21(28)15-18)26(2,3)25(33)31-23-12-7-17(27)14-22(23)29/h5-12,14-15H,4,13H2,1-3H3,(H,30,32)(H,31,33)
Affinity DataIC50: 200nMAssay Description:Transrepression of RORgammat in anti-CD3/CD28 stimulated C57BL/6 mouse CD4-positive T cells assessed as suppression of T cell differentiation to Th17...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466367(CHEMBL4290041)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C26H26F2N2O4S/c1-4-35(33,34)21-12-5-17(6-13-21)15-24(31)29-20-11-14-22(23(28)16-20)26(2,3)25(32)30-19-9-7-18(27)8-10-19/h5-14,16H,4,15H2,1-3H3,(H,29,31)(H,30,32)
Affinity DataIC50: 250nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466381(CHEMBL4281750)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H27FN2O4S/c1-4-34(32,33)23-14-8-18(9-15-23)16-24(30)28-21-12-10-19(11-13-21)26(2,3)25(31)29-22-7-5-6-20(27)17-22/h5-15,17H,4,16H2,1-3H3,(H,28,30)(H,29,31)
Affinity DataIC50: 260nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466373(CHEMBL4278285)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N2Cc3ccccc3C2)cc1
Show InChI InChI=1S/C28H30N2O4S/c1-4-35(33,34)25-15-9-20(10-16-25)17-26(31)29-24-13-11-23(12-14-24)28(2,3)27(32)30-18-21-7-5-6-8-22(21)19-30/h5-16H,4,17-19H2,1-3H3,(H,29,31)
Affinity DataIC50: 260nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466387(CHEMBL4279356)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cc(ccn2)C#N)cc1
Show InChI InChI=1S/C26H26N4O4S/c1-4-35(33,34)22-11-5-18(6-12-22)16-24(31)29-21-9-7-20(8-10-21)26(2,3)25(32)30-23-15-19(17-27)13-14-28-23/h5-15H,4,16H2,1-3H3,(H,29,31)(H,28,30,32)
Affinity DataIC50: 290nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466381(CHEMBL4281750)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C26H27FN2O4S/c1-4-34(32,33)23-14-8-18(9-15-23)16-24(30)28-21-12-10-19(11-13-21)26(2,3)25(31)29-22-7-5-6-20(27)17-22/h5-15,17H,4,16H2,1-3H3,(H,28,30)(H,29,31)
Affinity DataIC50: 290nMAssay Description:Transrepression of RORgammat in anti-CD3/CD28 stimulated C57BL/6 mouse CD4-positive T cells assessed as suppression of T cell differentiation to Th17...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466389(CHEMBL4286196)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2ncccc2F)cc1
Show InChI InChI=1S/C25H26FN3O4S/c1-4-34(32,33)20-13-7-17(8-14-20)16-22(30)28-19-11-9-18(10-12-19)25(2,3)24(31)29-23-21(26)6-5-15-27-23/h5-15H,4,16H2,1-3H3,(H,28,30)(H,27,29,31)
Affinity DataIC50: 310nMAssay Description:Transrepression of recombinant human GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466376(CHEMBL4293421)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)Nc2cc(F)ccn2)cc1
Show InChI InChI=1S/C25H26FN3O4S/c1-4-34(32,33)21-11-5-17(6-12-21)15-23(30)28-20-9-7-18(8-10-20)25(2,3)24(31)29-22-16-19(26)13-14-27-22/h5-14,16H,4,15H2,1-3H3,(H,28,30)(H,27,29,31)
Affinity DataIC50: 320nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466384(CHEMBL4293415)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)C(C)(C)C(=O)N(C)c2ccccc2)cc1
Show InChI InChI=1S/C27H30N2O4S/c1-5-34(32,33)24-17-11-20(12-18-24)19-25(30)28-22-15-13-21(14-16-22)27(2,3)26(31)29(4)23-9-7-6-8-10-23/h6-18H,5,19H2,1-4H3,(H,28,30)
Affinity DataIC50: 330nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Mus musculus)
Shionogi & Co., Ltd.

Curated by ChEMBL
LigandPNGBDBM50466375(CHEMBL4287674)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(F)c2)C(C)(C)C(=O)Nc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C26H25F3N2O4S/c1-4-36(34,35)19-9-5-16(6-10-19)13-24(32)30-18-8-11-20(21(28)15-18)26(2,3)25(33)31-23-12-7-17(27)14-22(23)29/h5-12,14-15H,4,13H2,1-3H3,(H,30,32)(H,31,33)
Affinity DataIC50: 340nMAssay Description:Transrepression of recombinant mouse GAL4-DBD fused RORgammat LBD expressed in HEK293 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
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