BDBM37550 3-[4-(2,5-dimethoxyphenyl)-5-(2-methylallylthio)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide::3-[4-(2,5-dimethoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]-N,N-dimethyl-benzenesulfonamide::3-[4-(2,5-dimethoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide::3-[4-(2,5-dimethoxyphenyl)-5-(2-methylprop-2-enylthio)-1,2,4-triazol-3-yl]-N,N-dimethylbenzenesulfonamide::MLS000053160::SMR000067266::cid_2081422
SMILES: COc1ccc(OC)c(c1)-n1c(SCC(C)=C)nnc1-c1cccc(c1)S(=O)(=O)N(C)C
InChI Key: InChIKey=FJJLOGXCONQPFN-UHFFFAOYSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Huntingtin (Homo sapiens (Human)) | BDBM37550 (3-[4-(2,5-dimethoxyphenyl)-5-(2-methylallylthio)-1...) | PDB KEGG GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University Molecular Screening Center Curated by PubChem BioAssay | Assay Description The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2SQ8XSH | |||||||||||
More data for this Ligand-Target Pair |