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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'LuxS' and Ligand = 'BDBM65979'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LuxS


(Vibrio harveyi)
BDBM65979
PNG
(1-methyl-N-[4-(trifluoromethoxy)phenyl]-1H-imidazo...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C11H10F3N3O3S/c1-17-6-10(15-7-17)21(18,19)16-8-2-4-9(5-3-8)20-11(12,13)14/h2-7,16H,1H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.39E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Z036M0
More data for this
Ligand-Target Pair
LuxS


(Vibrio harveyi)
BDBM65979
PNG
(1-methyl-N-[4-(trifluoromethoxy)phenyl]-1H-imidazo...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C11H10F3N3O3S/c1-17-6-10(15-7-17)21(18,19)16-8-2-4-9(5-3-8)20-11(12,13)14/h2-7,16H,1H3
UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: LuxS enzyme, AI-2 Assay Overview: The overall aim of the project is to identify inhibitors of the quorum sensing pathway in Vibrio harveyi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23F4N29
More data for this
Ligand-Target Pair
LuxS


(Vibrio harveyi)
BDBM65979
PNG
(1-methyl-N-[4-(trifluoromethoxy)phenyl]-1H-imidazo...)
Show SMILES Cn1cnc(c1)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C11H10F3N3O3S/c1-17-6-10(15-7-17)21(18,19)16-8-2-4-9(5-3-8)20-11(12,13)14/h2-7,16H,1H3
UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Quorum Sensing, Auto-inducer 2 (AI-2), Vibrio harveyi, LuxS, LuxPQ, Luminescence Assay Overview: A modified strain of Vibrio harveyi with ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2T72FW8
More data for this
Ligand-Target Pair