BDBM55065 3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxazol-3-yl)-4-oxidanyl-2-(4-pentoxyphenyl)-2H-pyrrol-5-one::4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2-(4-pentoxyphenyl)-2H-pyrrol-5-one::4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-1-(5-methyl-3-isoxazolyl)-2-(4-pentoxyphenyl)-2H-pyrrol-5-one::5-(4-amoxyphenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-1-(5-methylisoxazol-3-yl)-3-pyrrolin-2-one::MLS001141112::SMR000647360::cid_4872167
SMILES: CCCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1
InChI Key: InChIKey=JVGQHVWBCMJEML-UHFFFAOYSA-N
Data: 3 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) | BDBM55065 (3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.44E+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 | |||||||||||||
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human)) | BDBM55065 (3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2JD4VDZ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human)) | BDBM55065 (3-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxa...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2GM85XC | ||||||||||||
More data for this Ligand-Target Pair |