BDBM55064 3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one;oxalic acid::3-[2-furanyl(oxo)methyl]-4-hydroxy-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-2H-pyrrol-5-one;oxalic acid::4-(2-furoyl)-3-hydroxy-5-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-3-pyrrolin-2-one;oxalic acid::4-(Furan-2-carbonyl)-3-hydroxy-5-(4-hydroxy-phenyl)-1-(6-methyl-benzothiazol-2-yl)-1,5-dihydro-pyrrol-2-one::MLS001225329::SMR000612212::cid_24792466::ethanedioic acid;3-(furan-2-ylcarbonyl)-2-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-2H-pyrrol-5-one
SMILES: Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(O)cc1
InChI Key: InChIKey=AVSFLBHYIZTNGY-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 |
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NS3 (Hepatitis C virus) | BDBM55064 (3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.42E+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 |