BDBM34826 4-[(3-carbethoxy-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)methyl]piperazine-1-carboxylic acid ethyl ester::4-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-4-benzo[g]benzofuranyl)methyl]-1-piperazinecarboxylic acid ethyl ester::MLS000704274::SMR000230573::cid_1047727::ethyl )-3-[(3-chloroanilino)methylene]-6-methyl-2H-pyran-2,4(3H)-dione::ethyl 4-[(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)methyl]piperazine-1-carboxylate::ethyl 4-[(3-ethoxycarbonyl-5-hydroxy-2-methylbenzo[g][1]benzofuran-4-yl)methyl]piperazine-1-carboxylate

SMILES CCOC(=O)N1CCN(Cc2c(O)c3ccccc3c3oc(C)c(C(=O)OCC)c23)CC1

InChI Key InChIKey=ATHDXGIEWLVIJY-UHFFFAOYSA-N

Data  2 IC50  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 3 hits for monomerid = 34826   

LigandPNGBDBM34826(cid_1047727 | SMR000230573 | MLS000704274 | ethyl ...)
Affinity DataIC50: 3.95E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM34826(cid_1047727 | SMR000230573 | MLS000704274 | ethyl ...)
Affinity DataEC50:  8.16E+3nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetMannose-6-phosphate isomerase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34826(cid_1047727 | SMR000230573 | MLS000704274 | ethyl ...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/24/2009
Entry Details
PCBioAssay