BDBM50260068 CHEMBL4075943::US9957263, Example 39

SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2ccc(cc2-c2cn(C)c(=O)c3[nH]ccc23)S(C)(=O)=O)c1

InChI Key InChIKey=NNIOYGYUKRTEHO-UHFFFAOYSA-N

Data  4 KI

  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 = 50260068   

TargetBromodomain-containing protein 4(Human)
University of Texas Medical Branch

Curated by ChEMBL
LigandPNGBDBM50260068(US9957263, Example 39 | CHEMBL4075943)
Affinity DataKi:  2.10nMAssay Description:Inhibition of His-tagged BRD4 bromodomain 2 (E352 to E168 residues) (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2020
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
University of Texas Medical Branch

Curated by ChEMBL
LigandPNGBDBM50260068(US9957263, Example 39 | CHEMBL4075943)
Affinity DataKi:  2.10nMAssay Description:Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent

TargetBromodomain-containing protein 4(Human)
University of Texas Medical Branch

Curated by ChEMBL
LigandPNGBDBM50260068(US9957263, Example 39 | CHEMBL4075943)
Affinity DataKi:  4.60nMAssay Description:Compound dilution series were prepared in DMSO via a 3-fold serial dilution from 2.5 mM to 42 nM. Compounds were then diluted 6:100 in assay buffer (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2020
Entry Details
US Patent

TargetBromodomain-containing protein 4(Human)
University of Texas Medical Branch

Curated by ChEMBL
LigandPNGBDBM50260068(US9957263, Example 39 | CHEMBL4075943)
Affinity DataKi:  4.60nMAssay Description:Inhibition of His-tagged BRD4 bromodomain 1 (K57 to E168 residues) (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2020
Entry Details Article
PubMed