BDBM50517589 CHEMBL4100286

SMILES CC1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C

InChI Key InChIKey=BENOEPUDOPGLCP-UHFFFAOYSA-N

Data  1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50517589   

TargetNuclear receptor ROR-gamma(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50517589(CHEMBL4100286)
Affinity DataIC50: 3.30nMAssay 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 Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear receptor ROR-gamma(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50517589(CHEMBL4100286)
Affinity DataEC50:  31nMAssay 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 Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)