BDBM33150 3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-hydroxy-1-cyclohepta-2,4,6-trienone::3-[(E)-3-(2,4-dimethylphenyl)acryloyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one::3-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one::3-[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one::3-[3-(2,4-dimethylphenyl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrien-1-one::MLS000702110::SMR000229842::cid_7314606
SMILES: Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)c(C)c1
InChI Key: InChIKey=ODTXUWRROVEXCV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bcl-2-related protein A1 (Homo sapiens (Human)) | BDBM33150 (3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 5.11E+4 | 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 | |||||||||||||
NS3 (Hepatitis C virus) | BDBM33150 (3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.90E+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 | |||||||||||||
streptokinase A precursor (Streptococcus pyogenes M1 GAS) | BDBM33150 (3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
LAP4 (Saccharomyces cerevisiae) | BDBM33150 (3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.15E+3 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q21R6P02 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MEP2 (Saccharomyces cerevisiae) | BDBM33150 (3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.37E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X5F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
citrate synthase 2 (Saccharomyces cerevisiae) | BDBM33150 (3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q25H7DRT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RPL19A (Saccharomyces cerevisiae) | BDBM33150 (3-[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2JQ0ZGP | |||||||||||
More data for this Ligand-Target Pair |