BindingDB logo
myBDB logout

BDBM83278 2-(4-methylphenyl)sulfonyl-5-nitro-furan::2-(4-methylphenyl)sulfonyl-5-nitrofuran::2-nitro-5-tosyl-furan::MLS002702444::SMR001566006::cid_394449

SMILES: Cc1ccc(cc1)S(=O)(=O)c1ccc(o1)[N+]([O-])=O

InChI Key: InChIKey=GAUHIPWCDXOLCZ-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 83278   
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
Toll-like receptor 9 (TLR9)


(Homo sapiens (Human))
BDBM83278
PNG
(2-(4-methylphenyl)sulfonyl-5-nitro-furan | 2-(4-me...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
Article
PCBioAssay
n/an/a 4.78E+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)


Article DOI: 10.1021/bi500711x
BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM83278
PNG
(2-(4-methylphenyl)sulfonyl-5-nitro-furan | 2-(4-me...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem
Article
PCBioAssay
n/an/a 1.12E+4n/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)


Article DOI: 10.1021/bi500887n
BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair