BDBM342610 US9776990, Example 53::methyl 3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxybenzoate

SMILES COC(=O)c1ccc(Oc2ccccc2)c(c1)-c1[nH]c(C)c2c1CCCC2=O

InChI Key InChIKey=NPKQOBAGAPKRFP-UHFFFAOYSA-N

Data  3 KI  1 EC50

  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 = 342610   

TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM342610(US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...)
Affinity DataKi:  91nMAssay Description:Binding affinity to His-tagged BRD4 BD1-BD2 (K57 to K550 residues) (unknown origin) after 1 hr by Alexa-647-conjugated probe based TR-FRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM342610(US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...)
Affinity DataKi:  927nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM342610(US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...)
Affinity DataKi:  3.67E+3nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetBromodomain-containing protein 4(Homo sapiens (Human))
Abbvie

Curated by ChEMBL
LigandPNGBDBM342610(US9776990, Example 53 | methyl 3-(3-methyl-4-oxo-4...)
Affinity DataEC50:  2.00E+3nMAssay Description:Inhibition of BRD4 (unknown origin) expressed in human H1299 cells co-expressing HPV16-LCR/E2 after 24 hrs by Bright Glo-luciferase reporter gene ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed