Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM419139'
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Nestle Skin Health

Curated by ChEMBL
LigandPNGBDBM419139(BDBM50461078 | N-(4-ethylphenyl)-N- isobutyl-3- me...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@](C)(=N)=O
Show InChI InChI=1S/C25H36N2O5S2/c1-5-20-6-8-22(9-7-20)27(17-19(2)3)34(29,30)23-10-11-24(25(16-23)33(4,26)28)32-18-21-12-14-31-15-13-21/h6-11,16,19,21,26H,5,12-15,17-18H2,1-4H3/t33-/m1/s1
Affinity DataIC50: 20nMAssay Description:Inverse agonist activity at RORgamma in human CD4+ T cells assessed as inhibition of antiCD-28 antibody stimulated IL-17A production after 4 days by ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Nestle Skin Health

Curated by ChEMBL
LigandPNGBDBM419139(BDBM50461078 | N-(4-ethylphenyl)-N- isobutyl-3- me...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@](C)(=N)=O
Show InChI InChI=1S/C25H36N2O5S2/c1-5-20-6-8-22(9-7-20)27(17-19(2)3)34(29,30)23-10-11-24(25(16-23)33(4,26)28)32-18-21-12-14-31-15-13-21/h6-11,16,19,21,26H,5,12-15,17-18H2,1-4H3/t33-/m1/s1
Affinity DataIC50: 45nMAssay Description:Inverse agonist activity at RORgamma (unknown origin) expressed in human HeLa-derived HG5LN cells transfected with the GAL4 DNA-binding domain fused ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Nestle Skin Health

Curated by ChEMBL
LigandPNGBDBM419139(BDBM50461078 | N-(4-ethylphenyl)-N- isobutyl-3- me...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@](C)(=N)=O
Show InChI InChI=1S/C25H36N2O5S2/c1-5-20-6-8-22(9-7-20)27(17-19(2)3)34(29,30)23-10-11-24(25(16-23)33(4,26)28)32-18-21-12-14-31-15-13-21/h6-11,16,19,21,26H,5,12-15,17-18H2,1-4H3/t33-/m1/s1
Affinity DataIC50: 100nMAssay Description:The RORγ transactivation model was developed from the line HG5LN, which is a HeLa line that stably expresses a luciferase reporter gene controll...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Nestle Skin Health

Curated by ChEMBL
LigandPNGBDBM419139(BDBM50461078 | N-(4-ethylphenyl)-N- isobutyl-3- me...)
Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@](C)(=N)=O
Show InChI InChI=1S/C25H36N2O5S2/c1-5-20-6-8-22(9-7-20)27(17-19(2)3)34(29,30)23-10-11-24(25(16-23)33(4,26)28)32-18-21-12-14-31-15-13-21/h6-11,16,19,21,26H,5,12-15,17-18H2,1-4H3/t33-/m1/s1
Affinity DataIC50: 100nMAssay Description:The RORγ transactivation model was developed from the line HG5LN, which is a HeLa line that stably expresses a luciferase reporter gene controll...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid