BDBM50517586 CHEMBL4562603

SMILES COc1ccc2[C@@H](N(CCc2n1)C(C)=O)C(=O)Nc1ccc(OCc2ccccc2OC)cc1

InChI Key InChIKey=RNCVXSNHCXEILI-UHFFFAOYSA-N

Data  1 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50517586   

TargetNuclear receptor ROR-gamma(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50517586(CHEMBL4562603)
Affinity DataEC50:  8.10E+3nMAssay Description:Agonist activity at RORgammaT (unknown origin) expressed in human Jurkat cells co-expressing human IL-17 ROR response element by luciferase reporter ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50517586(CHEMBL4562603)
Affinity DataIC50: 44nMAssay Description:Displacement of BODIPY-labeled-5-((2Z)-2-((1-(difluoroboryl)-3,5-dimethyl-1H-pyrrol-2-yl)-methylene)-2H-pyrrol-5-yl)-N-(2-((3,5-difluoro-4-(trimethyl...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50517586(CHEMBL4562603)
Affinity DataEC50:  53nMAssay Description:Agonist activity at His-tagged human RORgammaT assessed as induction of biotinylated SRC-1 peptide recruitment after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)