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SMILES: CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1

InChI Key: InChIKey=WZKUBHVFCARLFV-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 = 83235   
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
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM83235
PNG
(MLS001006760 | N-[1-(1-benzofuran-2-yl)ethylidenea...)
Show SMILES CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1 |w:3.3|
Show InChI InChI=1S/C16H13N3O3/c1-11(16-10-12-4-2-3-5-15(12)22-16)17-18-13-6-8-14(9-7-13)19(20)21/h2-11H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.00E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM83235
PNG
(MLS001006760 | N-[1-(1-benzofuran-2-yl)ethylidenea...)
Show SMILES CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1cc2ccccc2o1 |w:3.3|
Show InChI InChI=1S/C16H13N3O3/c1-11(16-10-12-4-2-3-5-15(12)22-16)17-18-13-6-8-14(9-7-13)19(20)21/h2-11H,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.01E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair