BDBM50050086 CHEMBL3317836::US9216988, 55

SMILES CC(=O)N1CCN(CC1)c1ccc(CN(C2CCC2)S(=O)(=O)Cc2ccccc2)cc1

InChI Key InChIKey=KIHDXHLXSMPQSN-UHFFFAOYSA-N

Data  3 IC50  10 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50050086   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataIC50:  29nMpH: 7.4Assay Description:On day of the assay, 100 uL of 0.05% CHAPS (in deionized H2O) was added to all wells of the GFB Unifilter plate and allowed soak for 1 h. A wash bu...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataEC50:  30nMAssay 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
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataEC50:  130nMAssay Description:Agonist activity at GAL4-fused human RORc expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs by dual-g...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
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
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at GAL4-fused human FXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataEC50:  30nMAssay Description:Inverse agonist activity at human RORC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at GAL4-fused human LXRbeta expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at GAL4-fused human PXR expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dual-glo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Genentech

US Patent
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataIC50:  46nMAssay Description:Inverse agonist activity at APC-labeled RORgammat LBD (unknown origin) assessed as inhibition of europium-labeled co-activator SRC1 recruitment incub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Mus musculus)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataIC50:  670nMAssay Description:Inverse agonist activity at RORgammat in mouse CD4+ T cells assessed as inhibition of differentiation into Th17 cells by measuring IL-17 production b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Mus musculus)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataEC50:  760nMAssay Description:Inverse agonist activity at RORgammat in C57 mouse CD4+ T cells cells assessed as inhibition of Th17 cells differentiation by measuring decrease in I...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50050086(CHEMBL3317836 | US9216988, 55)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at GAL4-fused human LXRalpha expressed in HEK293T cells assessed as activation of basal transcriptional activity after 20 hrs by dua...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed