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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Autoinducer 1 sensor kinase/phosphatase luxN' and Ligand = 'BDBM50351500'   
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
Autoinducer 1 sensor kinase/phosphatase luxN


(Vibrio harveyi)
BDBM50351500
PNG
(CHEMBL1823949)
Show SMILES CC(C)(c1ccccc1)c1ccc(OCC(=O)NC2CCCC2)cc1
Show InChI InChI=1S/C22H27NO2/c1-22(2,17-8-4-3-5-9-17)18-12-14-20(15-13-18)25-16-21(24)23-19-10-6-7-11-19/h3-5,8-9,12-15,19H,6-7,10-11,16H2,1-2H3,(H,23,24)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LuxN-dependent bioluminescence in Vibrio harveyi


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