BDBM33135 3-[(E)-3-(3,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-hydroxy-1-cyclohepta-2,4,6-trienone::3-[(E)-3-(3,4-dimethylphenyl)acryloyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one::3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one::3-[(E)-3-(3,4-dimethylphenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one::3-[3-(3,4-dimethylphenyl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrien-1-one::MLS000756172::SMR000229847::cid_6110289
SMILES: Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)cc1C
InChI Key: InChIKey=QIEAHZISEDAALX-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)) | BDBM33135 (3-[(E)-3-(3,4-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 | 1.49E+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 | |||||||||||||
BCL-W (Homo sapiens (Human)) | BDBM33135 (3-[(E)-3-(3,4-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 | 2.79E+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/Q2BR8QM3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NS3 (Hepatitis C virus) | BDBM33135 (3-[(E)-3-(3,4-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 | 2.63E+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 | |||||||||||||
Hsf1 protein (Mus musculus) | BDBM33135 (3-[(E)-3-(3,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2P55KXK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock protein 90 (Candida albicans) | BDBM33135 (3-[(E)-3-(3,4-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 | n/a | n/a | >2.60E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, fluconazole, Hsp90, Calcineurin, ... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MC8XGG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
heat shock protein 90 (Candida albicans) | BDBM33135 (3-[(E)-3-(3,4-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 | n/a | n/a | 8.43E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2GM85R4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
calcineurin A1, putative (Candida dubliniensis CD36) | BDBM33135 (3-[(E)-3-(3,4-dimethylphenyl)-1-oxoprop-2-enyl]-2-...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZP44K0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
streptokinase A precursor (Streptococcus pyogenes M1 GAS) | BDBM33135 (3-[(E)-3-(3,4-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 |