BDBM510598 US11078186, Example 52::US11078186, Example 86

SMILES CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O

InChI Key InChIKey=YXYVNJXYQMACDG-UHFFFAOYSA-N

Data  2 IC50  4 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 510598   

TargetNuclear receptor ROR-gamma [262-507](Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM510598(US11078186, Example 86 | US11078186, Example 52)
Affinity DataIC50: 68nMAssay Description:The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/16/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma [262-507](Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM510598(US11078186, Example 86 | US11078186, Example 52)
Affinity DataIC50: 77nMAssay Description:The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/16/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM510598(US11078186, Example 86 | US11078186, Example 52)
Affinity DataEC50:  325nMAssay Description:Inverse agonist activity at RORgammat (unknown origin) expressed in Jurkat cells by reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM510598(US11078186, Example 86 | US11078186, Example 52)
Affinity DataEC50:  335nMAssay Description:Inverse agonist activity at RORgammat (unknown origin) expressed in Jurkat cells by reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM510598(US11078186, Example 86 | US11078186, Example 52)
Affinity DataEC50:  1.48E+3nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM510598(US11078186, Example 86 | US11078186, Example 52)
Affinity DataEC50:  1.48E+3nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed