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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Isoform Bcl-X(L) (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.02E+3 | n/a | n/a | 7.4 | 4 |
NMMLSC Curated by PubChem BioAssay | Assay 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... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K935WV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.83E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 | Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MPI protein (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.47E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay 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 ... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2CF9NFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BCL-W (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay 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... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2BR8QM3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 5.13E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay 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... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2B27SQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
XBP1 (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA damage-inducible transcript 3 protein (Mus musculus) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V12389 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2ZS2TZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q27H1H3W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase (Plasmodium falciparum 3D7) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23T9FQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.83E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 | Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2B6 | Eur J Med Chem 43: 1621-31 (2008) Article DOI: 10.1016/j.ejmech.2007.10.034 BindingDB Entry DOI: 10.7270/Q26D5SRW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-related protein A1 (Homo sapiens (Human)) | BDBM32312 ((2E,5E)-2,5-bis(4-hydroxy-3,5-dimethoxy-benzyliden...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.90E+3 | n/a | n/a | 7.4 | 4 |
NMMLSC Curated by PubChem BioAssay | Assay 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 ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CN728N | |||||||||||
More data for this Ligand-Target Pair |