BDBM78643 2-[2-(4-{3-[(4-chlorobenzyl)oxy]-2-hydroxypropyl}-1-piperazinyl)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione dihydrochloride::2-[2-[4-[3-(4-chlorobenzyl)oxy-2-hydroxy-propyl]piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone;hydrochloride::2-[2-[4-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::2-[2-[4-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::2-[2-[4-[3-[(4-chlorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride::MLS000571940::SMR000193958::cid_11979307

SMILES OC(COCc1ccc(Cl)cc1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

InChI Key InChIKey=NJVMZNKLSUUGRL-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 78643   

TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78643(2-[2-(4-{3-[(4-chlorobenzyl)oxy]-2-hydroxypropyl}-...)
Affinity DataIC50:  2.89E+3nMAssay 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
LigandPNGBDBM78643(2-[2-(4-{3-[(4-chlorobenzyl)oxy]-2-hydroxypropyl}-...)
Affinity DataIC50:  2.31E+3nMAssay 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
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78643(2-[2-(4-{3-[(4-chlorobenzyl)oxy]-2-hydroxypropyl}-...)
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