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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50241431   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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 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