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BDBM50241431 (S)-2-(3-nitrophenyl)-N-(2-oxo-tetrahydrofuran-3-yl)acetamide::(S)-2-(3-nitrophenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamide::CHEMBL405298

SMILES: [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCOC2=O)c1

InChI Key: InChIKey=IUPQZKFASASZOC-JTQLQIEISA-N

Data: 2 IC50  2 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 4 hits for monomerid = 50241431   
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
Transcriptional activator protein traR


(Rhizobium radiobacter)
BDBM50241431
PNG
((S)-2-(3-nitrophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCOC2=O)c1 |r|
Show InChI InChI=1S/C12H12N2O5/c15-11(13-10-4-5-19-12(10)16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,13,15)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Agrobacterium tumefaciens WCF47 TraR receptor by beta-galctosidase reporter gene assay


Bioorg Med Chem Lett 18: 5978-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.089
BindingDB Entry DOI: 10.7270/Q2Q81CXX
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50241431
PNG
((S)-2-(3-nitrophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCOC2=O)c1 |r|
Show InChI InChI=1S/C12H12N2O5/c15-11(13-10-4-5-19-12(10)16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,13,15)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 610n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli DH5alpha assessed as inhibition of protein interaction with OdDHL af...


J Med Chem 61: 10385-10402 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00540
BindingDB Entry DOI: 10.7270/Q2XP77NZ
More data for this
Ligand-Target Pair
Transcriptional activator protein luxR


(Vibrio fischeri)
BDBM50241431
PNG
((S)-2-(3-nitrophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCOC2=O)c1 |r|
Show InChI InChI=1S/C12H12N2O5/c15-11(13-10-4-5-19-12(10)16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,13,15)/t10-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 350n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Vibrio fischeri luxR receptor in absence of natural autoinducer


J Med Chem 53: 7467-89 (2010)


Article DOI: 10.1021/jm901742e
BindingDB Entry DOI: 10.7270/Q2S75GPT
More data for this
Ligand-Target Pair
Transcriptional activator protein lasR


(Pseudomonas aeruginosa)
BDBM50241431
PNG
((S)-2-(3-nitrophenyl)-N-(2-oxo-tetrahydrofuran-3-y...)
Show SMILES [O-][N+](=O)c1cccc(CC(=O)N[C@H]2CCOC2=O)c1 |r|
Show InChI InChI=1S/C12H12N2O5/c15-11(13-10-4-5-19-12(10)16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10H,4-5,7H2,(H,13,15)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 610n/an/an/an/an/an/a



Florida International University

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa LasR


Bioorg Med Chem 19: 5500-6 (2011)


Article DOI: 10.1016/j.bmc.2011.07.044
BindingDB Entry DOI: 10.7270/Q2QF8T7Q
More data for this
Ligand-Target Pair