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BDBM50265900 (S)-3-(4-nitrophenyl)-N-(2-oxotetrahydrofuran-3-yl)propanamide::CHEMBL503238

SMILES: [O-][N+](=O)c1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1

InChI Key: InChIKey=ZDLUJCXPYPMMQL-NSHDSACASA-N

Data: 2 IC50

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 = 50265900   
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 luxR


(Vibrio fischeri (strain ATCC 700601 / ES114))
BDBM50265900
PNG
((S)-3-(4-nitrophenyl)-N-(2-oxotetrahydrofuran-3-yl...)
Show SMILES [O-][N+](=O)c1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H14N2O5/c16-12(14-11-7-8-20-13(11)17)6-3-9-1-4-10(5-2-9)15(18)19/h1-2,4-5,11H,3,6-8H2,(H,14,16)/t11-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 990n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Vibrio fischeri ES114 LuxR receptor assessed as inhibition of OHHL-induced response by luciferase 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 traR


(Rhizobium radiobacter)
BDBM50265900
PNG
((S)-3-(4-nitrophenyl)-N-(2-oxotetrahydrofuran-3-yl...)
Show SMILES [O-][N+](=O)c1ccc(CCC(=O)N[C@H]2CCOC2=O)cc1 |r|
Show InChI InChI=1S/C13H14N2O5/c16-12(14-11-7-8-20-13(11)17)6-3-9-1-4-10(5-2-9)15(18)19/h1-2,4-5,11H,3,6-8H2,(H,14,16)/t11-/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/a 1.60E+3n/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Antagonist activity at Agrobacterium tumefaciens WCF47 TraR receptor assessed as inhibition of OOHL-induced response by beta-galctosidase reporter ge...


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