BDBM55074 (4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione::(4E)-1-(5-acetyl-4-methyl-2-thiazolyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione::(4E)-1-(5-acetyl-4-methyl-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylene]-5-(4-methoxyphenyl)pyrrolidine-2,3-quinone::(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxidanyl)methylidene]-1-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione::MLS001140821::SMR000650265::cid_5916262
SMILES: COc1ccc(cc1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1c1nc(C)c(s1)C(C)=O
InChI Key: InChIKey=QLJIYBOCKFXFFG-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NS3 (Hepatitis C virus) | BDBM55074 ((4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.13E+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 |