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SMILES: COc1ccc(CN=Nc2ccc(cc2S(=O)(=O)N2CCN(C)CC2)[N+]([O-])=O)cc1

InChI Key: InChIKey=SHWFRVMWKPXCRE-UHFFFAOYSA-N

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 2 hits for monomerid = 83550   
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
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM83550
PNG
(MLS000553953 | N-(4-Methoxy-benzylidene)-N'-[2...)
Show SMILES COc1ccc(CN=Nc2ccc(cc2S(=O)(=O)N2CCN(C)CC2)[N+]([O-])=O)cc1 |w:8.8|
Show InChI InChI=1S/C19H23N5O5S/c1-22-9-11-23(12-10-22)30(27,28)19-13-16(24(25)26)5-8-18(19)21-20-14-15-3-6-17(29-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 8.43E+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/Q2TB15DB
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM83550
PNG
(MLS000553953 | N-(4-Methoxy-benzylidene)-N'-[2...)
Show SMILES COc1ccc(CN=Nc2ccc(cc2S(=O)(=O)N2CCN(C)CC2)[N+]([O-])=O)cc1 |w:8.8|
Show InChI InChI=1S/C19H23N5O5S/c1-22-9-11-23(12-10-22)30(27,28)19-13-16(24(25)26)5-8-18(19)21-20-14-15-3-6-17(29-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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/Q2Z31X54
More data for this
Ligand-Target Pair