BDBM32312 (2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzylidene)cyclopentanone::(2E,5E)-2,5-bis[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]cyclopentan-1-one::(2E,5E)-2,5-bis[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1-cyclopentanone::(2E,5E)-2,5-bis[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]cyclopentan-1-one::CHEMBL498373::MLS000374615::SMR000244230::cid_2407524

SMILES COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O

InChI Key InChIKey=RZFRGTCAMDRPMQ-BGPOSVGRSA-N

Data  13 IC50  4 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 17 hits for monomerid = 32312   

TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL)(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataEC50:  3.02E+3nMpH: 7.4 T: 2°CAssay Description:The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50:  3.83E+4nMAssay Description:Inhibition of human recombinant CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50:  2.47E+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
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TargetBcl-2-like protein 2(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataEC50:  3.31E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataEC50:  5.13E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEukaryotic translation initiation factor 4 gamma 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50:  6.40E+4nMAssay Description:Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50:  5.75E+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 DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50:  7.46E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50:  5.38E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50:  7.46E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50: >8.00E+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
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50:  1.71E+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
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50: >8.00E+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
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50: >8.00E+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
TargetCytochrome P450 3A4(Homo sapiens (Human))
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50:  3.83E+4nMAssay Description:Inhibition of human recombinant CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataIC50:  7.00E+4nMAssay Description:Inhibition of human recombinant CYP2B6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-related protein A1(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM32312((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...)
Affinity DataEC50:  3.90E+3nMpH: 7.4 T: 2°CAssay Description:The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay