BDBM342559 1-(2-aminophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-isoindol-4-one::US9776990, Example 3

SMILES Cc1[nH]c(c2CCCC(=O)c12)-c1ccccc1N

InChI Key InChIKey=IPQGUMYPDJKXTB-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 = 342559   

TargetBromodomain-containing protein 4(Human)
Abbvie

Curated by ChEMBL
LigandPNGBDBM342559(1-(2-aminophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-i...)
Affinity DataEC50:  7.10E+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
LigandPNGBDBM342559(1-(2-aminophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-i...)
Affinity DataKi:  3.73E+3nMAssay 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
LigandPNGBDBM342559(1-(2-aminophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-i...)
Affinity DataKi:  9.50E+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
LigandPNGBDBM342559(1-(2-aminophenyl)-3-methyl-2,5,6,7-tetrahydro-4H-i...)
Affinity DataKi:  1.50E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2019
Entry Details
Go to US Patent