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BDBM32313 3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydroxy-1-cyclohepta-2,4,6-trienone::3-[(E)-3-(2-chlorophenyl)acryloyl]-2-hydroxy-cyclohepta-2,4,6-trien-1-one::3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one::3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-oxidanyl-cyclohepta-2,4,6-trien-1-one::3-[3-(2-chlorophenyl)acryloyl]-2-hydroxy-2,4,6-cycloheptatrien-1-one::MLS000703809::SMR000229840::cid_8219205
SMILES: Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
InChI Key: InChIKey=SQKUATVLPMTXAZ-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Isoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) (Homo sapiens (Human)) | BDBM32313 (3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.93E+4 | 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 | |||||||||||||
| Bcl-2-related protein A1 (Homo sapiens (Human)) | BDBM32313 (3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 9.01E+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-2-like protein 2 (Homo sapiens (Human)) | BDBM32313 (3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.18E+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 | |||||||||||||
| Streptokinase A (Streptococcus pyogenes M1 GAS) | BDBM32313 (3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | 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 | |||||||||||||
| Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM32313 (3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | 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/Q2697202 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Transcription factor p65 (Homo sapiens (Human)) | BDBM32313 (3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 8.07E+3 | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27P8WT7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Genome polyprotein (Hepatitis C virus) | BDBM32313 (3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 4.49E+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 | |||||||||||||
| Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM32313 (3-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]-2-hydr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.50E+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 | |||||||||||||
