BDBM55055 2-methylpropyl 4-[[2-methoxy-5-[[(3,4,5-trihydroxybenzoyl)hydrazinylidene]methyl]phenyl]methoxy]benzoate::2-methylpropyl 4-[[2-methoxy-5-[[[3,4,5-tris(oxidanyl)phenyl]carbonylhydrazinylidene]methyl]phenyl]methoxy]benzoate::4-[5-[(galloylhydrazono)methyl]-2-methoxy-benzyl]oxybenzoic acid isobutyl ester::4-[[2-methoxy-5-[[[oxo-(3,4,5-trihydroxyphenyl)methyl]hydrazinylidene]methyl]phenyl]methoxy]benzoic acid 2-methylpropyl ester::MLS001201182::SMR000564100::cid_4675220::isobutyl 4-[(2-methoxy-5-{(Z)-[(3,4,5-trihydroxybenzoyl)hydrazono]methyl}benzyl)oxy]benzoate
SMILES: COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1COc1ccc(cc1)C(=O)OCC(C)C
InChI Key: InChIKey=ZRNDMDNQAOESII-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
streptokinase A precursor (Streptococcus pyogenes M1 GAS) | BDBM55055 (2-methylpropyl 4-[[2-methoxy-5-[[(3,4,5-trihydroxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NS3 (Hepatitis C virus) | BDBM55055 (2-methylpropyl 4-[[2-methoxy-5-[[(3,4,5-trihydroxy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.44E+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 |