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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'LuxS' and Ligand = 'BDBM64221'   
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)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.57E+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)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

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)
BDBM64221
PNG
(2-(2,5-diketo-4,4-diphenyl-imidazolidin-1-yl)-N-(3...)
Show SMILES COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C25H23N3O5/c1-32-20-13-19(14-21(15-20)33-2)26-22(29)16-28-23(30)25(27-24(28)31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)
UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.37E+4n/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