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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

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 55055   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM55055
PNG
(2-methylpropyl 4-[[2-methoxy-5-[[(3,4,5-trihydroxy...)
Show SMILES COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1COc1ccc(cc1)C(=O)OCC(C)C
Show InChI InChI=1S/C27H28N2O8/c1-16(2)14-37-27(34)18-5-7-21(8-6-18)36-15-20-10-17(4-9-24(20)35-3)13-28-29-26(33)19-11-22(30)25(32)23(31)12-19/h4-13,16,30-32H,14-15H2,1-3H3,(H,29,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/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
PNG
(2-methylpropyl 4-[[2-methoxy-5-[[(3,4,5-trihydroxy...)
Show SMILES COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1COc1ccc(cc1)C(=O)OCC(C)C
Show InChI InChI=1S/C27H28N2O8/c1-16(2)14-37-27(34)18-5-7-21(8-6-18)36-15-20-10-17(4-9-24(20)35-3)13-28-29-26(33)19-11-22(30)25(32)23(31)12-19/h4-13,16,30-32H,14-15H2,1-3H3,(H,29,33)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.44E+3n/an/an/an/an/an/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