BDBM33139 3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-hydroxy-1-cyclohepta-2,4,6-trienone::3-[(E)-3-(2,5-dimethylphenyl)acryloyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one::3-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one::3-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one::3-[3-(2,5-dimethylphenyl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrien-1-one::MLS000702109::SMR000229843::cid_7314608
SMILES: Cc1ccc(C)c(\C=C\C(=O)c2ccccc(=O)c2O)c1
InChI Key: InChIKey=YWWNMMGRLPHMPZ-MDZDMXLPSA-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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Bcl-2-related protein A1 (Homo sapiens (Human)) | BDBM33139![]() (3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 8.74E+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 | |||||||||||||
BCL-W (Homo sapiens (Human)) | BDBM33139![]() (3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 8.51E+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)) | BDBM33139![]() (3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.94E+4 | 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 | |||||||||||||
perilipin-5 (Homo sapiens (Human)) | BDBM33139![]() (3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24B2ZW9 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human)) | BDBM33139![]() (3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 6.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2736PH3 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-1 (Homo sapiens (Human)) | BDBM33139![]() (3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2CV4GBF | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NS3 (Hepatitis C virus) | BDBM33139![]() (3-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2XS5ST3 | |||||||||||
More data for this Ligand-Target Pair |