BDBM50005483 CHEMBL138196::CHEMBL3234253

SMILES CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4CCN(CC4)C(=O)C

InChI Key InChIKey=DRBVUHJDRZINML-UHFFFAOYSA-N

Data  3 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 50005483   

TargetNuclear receptor ROR-gamma(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50005483(CHEMBL138196 | CHEMBL3234253)
Affinity DataIC50: 6.03E+3nMAssay Description:Antagonist activity at Gal4-fused RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50005483(CHEMBL138196 | CHEMBL3234253)
Affinity DataIC50: 590nMAssay Description:Antagonist activity at full-length RORgamma (unknown origin) expressed in 293T cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL
LigandPNGBDBM50005483(CHEMBL138196 | CHEMBL3234253)
Affinity DataIC50: 3.18E+3nMAssay Description:Inhibition of human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells using biotin-H4KAc4 as substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/2/2017
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL
LigandPNGBDBM50005483(CHEMBL138196 | CHEMBL3234253)
Affinity DataKd:  2.34E+3nMAssay Description:Binding affinity to human His6-tagged BRD4 bromodomain 1 (N44 to E168 residues) expressed in Escherichia coli BL21(DE3) cells by isothermal titration...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/2/2017
Entry Details Article
PubMed