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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transcriptional activator protein LasR' and Ligand = 'BDBM50350703'   
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)
BDBM50350703
PNG
(CHEMBL1814828)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCSC1=O |r|
Show InChI InChI=1S/C16H27NO3S/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 7n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR cognate receptor expressed in Escherichia coli harboring pKDT17 assessed as activation of lasB expres...


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)
BDBM50350703
PNG
(CHEMBL1814828)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCSC1=O |r|
Show InChI InChI=1S/C16H27NO3S/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 1.5n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa LasR expressed in Escherichia coli JLD271 harboring LasR expression plasmid pJN105L and lasI-lacZ transcri...


Bioorg Med Chem 26: 5336-5342 (2018)


Article DOI: 10.1016/j.bmc.2018.05.018
BindingDB Entry DOI: 10.7270/Q23B62V9
More data for this
Ligand-Target Pair
Transcriptional activator protein LasR


(Pseudomonas aeruginosa)
BDBM50350703
PNG
(CHEMBL1814828)
Show SMILES CCCCCCCCCC(=O)CC(=O)N[C@H]1CCSC1=O |r|
Show InChI InChI=1S/C16H27NO3S/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Agonist activity at Pseudomonas aeruginosa PAO1 MW1 (pUM15) LasR after 8 hrs by beta-galactosidase reporter gene assay relative to OdDHL


Bioorg Med Chem 19: 4820-8 (2011)


Article DOI: 10.1016/j.bmc.2011.06.071
BindingDB Entry DOI: 10.7270/Q27D2W47
More data for this
Ligand-Target Pair