BDBM33167 4-(2-chloranyl-5-ethenylsulfinyl-4-nitro-thiophen-3-yl)morpholine::4-(2-chloro-4-nitro-5-vinylsulfinyl-3-thienyl)morpholine::4-(2-chloro-5-ethenylsulfinyl-4-nitro-3-thiophenyl)morpholine::4-(2-chloro-5-ethenylsulfinyl-4-nitrothiophen-3-yl)morpholine::4-[2-chloro-4-nitro-5-(vinylsulfinyl)-3-thienyl]morpholine::MLS000672192::SMR000293370::cid_2948526
SMILES: [O-][N+](=O)c1c(sc(Cl)c1N1CCOCC1)S(=O)C=C
InChI Key: InChIKey=JMYKVYIOIYMTPA-UHFFFAOYSA-N
Data: 2 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hsf1 protein (Mus musculus) | BDBM33167 (4-(2-chloranyl-5-ethenylsulfinyl-4-nitro-thiophen-...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 3.36E+3 | 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 | |||||||||||||
Bcl-2-related protein A1 (Homo sapiens (Human)) | BDBM33167 (4-(2-chloranyl-5-ethenylsulfinyl-4-nitro-thiophen-...) | 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 | 850 | 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 |