BDBM50544854 CHEMBL4646412::US11292781, Compound T36

SMILES [H][C@]12CCc3c(Cc4ccccc4)nc(nc3[C@]1(C)C=C(C#N)C(=O)[C@@H]2C)-c1ccncc1

InChI Key InChIKey=RKLFSSGRLFGJPY-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 50544854   

TargetNuclear receptor ROR-gamma(Human)
Reata Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50544854(CHEMBL4646412 | US11292781, Compound T36)
Affinity DataIC50: 132nMAssay Description:Inverse agonist activity at RORgammat in human CD4-positive T cells assessed as suppression of T cell differentiation to Th17 cells by reduction in m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Reata Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50544854(CHEMBL4646412 | US11292781, Compound T36)
Affinity DataIC50: 160nMAssay Description:Inverse agonist activity at Gal4-fused RORgammat LBD (unknown origin) by reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Reata Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50544854(CHEMBL4646412 | US11292781, Compound T36)
Affinity DataIC50: 161nMAssay Description:The RORγ assay system was purchased from Indigo Biosciences. This nuclear receptor assay utilizes a human cell line that has been engineered to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2022
Entry Details
US Patent