BDBM392006 US10301272, Example 6/4

SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)NCC(C)(C)O)c2ccccc12

InChI Key InChIKey=YBTHMLBUJBBJME-UHFFFAOYSA-N

Data  9 IC50  3 Kd

  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 12 hits for monomerid = 392006   

TargetIsoform 2 of Nuclear receptor ROR-gamma (RORgT)(Human)
Phenex Pharmaceuticals

US Patent
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataIC50: 200nMAssay Description:Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetIsoform 2 of Nuclear receptor ROR-gamma (RORgT)(Human)
Phenex Pharmaceuticals

US Patent
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataIC50: 2nMAssay Description:Cells were incubated for additional 16 h before firefly (FF) luciferase activities were measured sequentially in the same cell extract using a Dual-L...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetIsoform 2 of Nuclear receptor ROR-gamma (RORgT)(Human)
Phenex Pharmaceuticals

US Patent
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataIC50: 2nMAssay Description:Cells were incubated for additional 16 h before renilla (REN) luciferase activities were measured sequentially in the same cell extract using a Dual-...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetNuclear receptor ROR-beta(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataKd:  3.70E+3nMAssay Description:Binding affinity to recombinant human RORbeta LBD (201 to 452 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermofluo...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataKd:  1.10nMAssay Description:Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataIC50: 2.60nMAssay Description:Inverse agonist activity at human GAL4 DBD-fused RORgammat LBD (237 to 497 residues) expressed in HEK293T cells assessed as reduction in ROR mediated...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataIC50: 222nMAssay Description:Inverse agonist activity at RORgammat in human whole blood assessed as inhibition of anti-CD3/anti-CD28 monoclonal antibodies-stimulated IL-17A produ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataKd:  1.10nMAssay Description:Binding affinity to RORgammat (unknown origin) assessed as dissociation constant by thermal shift binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataIC50: 2.60nMAssay Description:Binding affinity to recombinant human RORgammat transfected in human HEK293T cells incubated for 24 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C19(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Phenex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM392006(US10301272, Example 6/4)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed