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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'LuxS' and Ligand = 'BDBM65980'   
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)
BDBM65980
PNG
(MLS001211346 | N-(5-Bromo-pyridin-2-yl)-4-ethyl-be...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C13H13BrN2O2S/c1-2-10-3-6-12(7-4-10)19(17,18)16-13-8-5-11(14)9-15-13/h3-9H,2H2,1H3,(H,15,16)
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.64E+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)
BDBM65980
PNG
(MLS001211346 | N-(5-Bromo-pyridin-2-yl)-4-ethyl-be...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C13H13BrN2O2S/c1-2-10-3-6-12(7-4-10)19(17,18)16-13-8-5-11(14)9-15-13/h3-9H,2H2,1H3,(H,15,16)
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)
BDBM65980
PNG
(MLS001211346 | N-(5-Bromo-pyridin-2-yl)-4-ethyl-be...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(Br)cn1
Show InChI InChI=1S/C13H13BrN2O2S/c1-2-10-3-6-12(7-4-10)19(17,18)16-13-8-5-11(14)9-15-13/h3-9H,2H2,1H3,(H,15,16)
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