BDBM78700 2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione dihydrochloride::2-[2-[4-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::2-[2-[4-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::2-[2-[4-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::2-[2-[4-[3-(2-allylphenoxy)-2-hydroxy-propyl]piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone;hydrochloride::CHEMBL1083672::MLS000680564::SMR000268752::cid_15945836

SMILES OC(COc1ccccc1CC=C)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

InChI Key InChIKey=YRMGKUZRKWDWIE-UHFFFAOYSA-N

Data  3 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 78700   

TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
4Sc

Curated by ChEMBL
LigandPNGBDBM78700(2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...)
Affinity DataKi:  150nMAssay Description:Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
4Sc

Curated by ChEMBL
LigandPNGBDBM78700(2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...)
Affinity DataKi:  293nMAssay Description:Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
4Sc

Curated by ChEMBL
LigandPNGBDBM78700(2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...)
Affinity DataKi:  3.10E+3nMAssay Description:Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78700(2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78700(2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...)
Affinity DataIC50:  1.72E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78700(2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...)
Affinity DataIC50:  1.77E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay