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BDBM83659 3,4,5-trimethoxybenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-3-pyrazolyl] ester::3,4,5-trimethoxybenzoic acid [5-amino-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] ester::MLS000936157::SMR000620883::[5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] 3,4,5-trimethoxybenzoate::[5-azanyl-1-(4-fluorophenyl)sulfonyl-pyrazol-3-yl] 3,4,5-trimethoxybenzoate::cid_5056423

SMILES: COc1cc(cc(OC)c1OC)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=ZJOKTZVLFABJFS-UHFFFAOYSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 83659   
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
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83659
PNG
(3,4,5-trimethoxybenzoic acid [5-amino-1-(4-fluorop...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O7S/c1-27-14-8-11(9-15(28-2)18(14)29-3)19(24)30-17-10-16(21)23(22-17)31(25,26)13-6-4-12(20)5-7-13/h4-10H,21H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83659
PNG
(3,4,5-trimethoxybenzoic acid [5-amino-1-(4-fluorop...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O7S/c1-27-14-8-11(9-15(28-2)18(14)29-3)19(24)30-17-10-16(21)23(22-17)31(25,26)13-6-4-12(20)5-7-13/h4-10H,21H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.48E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2D50KGC
More data for this
Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE


(Escherichia coli str. K-12 substr. MG1655)
BDBM83659
PNG
(3,4,5-trimethoxybenzoic acid [5-amino-1-(4-fluorop...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O7S/c1-27-14-8-11(9-15(28-2)18(14)29-3)19(24)30-17-10-16(21)23(22-17)31(25,26)13-6-4-12(20)5-7-13/h4-10H,21H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.48E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair