BDBM342612 N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxybenzamide::US9776990, Example 55

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

InChI Key InChIKey=UYVKPTPDSHKJCN-UHFFFAOYSA-N

Data  3 KI  1 EC50

  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 4 hits for monomerid = 342612   

TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM342612(N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-is...)
Affinity DataEC50:  1.40E+3nMAssay 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
In Depth
Date in BDB:
12/17/2019
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM342612(N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-is...)
Affinity DataKi:  77nMAssay 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:
8/12/2019
Entry Details
Go to US Patent

TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM342612(N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-is...)
Affinity DataKi:  250nMAssay 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
In Depth
Date in BDB:
12/17/2019
Entry Details Article
PubMed
TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM342612(N-ethyl-3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-is...)
Affinity DataKi:  511nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2019
Entry Details
Go to US Patent